Organoheterocyclic compounds
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Pyrrole-2-carbonitrile, 99%
CAS: 4513-94-4 Molecular Formula: C5H4N2 Molecular Weight (g/mol): 92.10 MDL Number: MFCD00234061 InChI Key: BQMPGKPTOHKYHS-UHFFFAOYSA-N Synonym: pyrrole-2-carbonitrile,2-cyanopyrrole,unii-6d25bmc1pp,2-carbonitrilepyrrole,6d25bmc1pp,cyanopyrrole,2-cyano-pyrrol,pyrrole carbonitrile,1h-pyrrolecarbonitrile,1h-pyrrol-2-kohlenitrile PubChem CID: 138277 IUPAC Name: 1H-pyrrole-2-carbonitrile SMILES: N#CC1=CC=CN1
| PubChem CID | 138277 |
|---|---|
| CAS | 4513-94-4 |
| Molecular Weight (g/mol) | 92.10 |
| MDL Number | MFCD00234061 |
| SMILES | N#CC1=CC=CN1 |
| Synonym | pyrrole-2-carbonitrile,2-cyanopyrrole,unii-6d25bmc1pp,2-carbonitrilepyrrole,6d25bmc1pp,cyanopyrrole,2-cyano-pyrrol,pyrrole carbonitrile,1h-pyrrolecarbonitrile,1h-pyrrol-2-kohlenitrile |
| IUPAC Name | 1H-pyrrole-2-carbonitrile |
| InChI Key | BQMPGKPTOHKYHS-UHFFFAOYSA-N |
| Molecular Formula | C5H4N2 |
Naloxone hydrochloride, 98%
CAS: 357-08-4 Molecular Formula: C19H22ClNO4 Molecular Weight (g/mol): 363.838 MDL Number: MFCD00069322 InChI Key: RGPDIGOSVORSAK-STHHAXOLSA-N Synonym: naloxone hydrochloride,naloxone hcl,narcan,evzio,unii-f850569pqr,nalonee,17-allyl-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one hydrochloride,narcan tn,naloxonehydrochloride PubChem CID: 5464092 IUPAC Name: (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride SMILES: C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O.Cl
| PubChem CID | 5464092 |
|---|---|
| CAS | 357-08-4 |
| Molecular Weight (g/mol) | 363.838 |
| MDL Number | MFCD00069322 |
| SMILES | C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O.Cl |
| Synonym | naloxone hydrochloride,naloxone hcl,narcan,evzio,unii-f850569pqr,nalonee,17-allyl-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one hydrochloride,narcan tn,naloxonehydrochloride |
| IUPAC Name | (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride |
| InChI Key | RGPDIGOSVORSAK-STHHAXOLSA-N |
| Molecular Formula | C19H22ClNO4 |
Orotic acid, 98%, anhydrous
CAS: 65-86-1 Molecular Formula: C5H4N2O4 Molecular Weight (g/mol): 156.1 InChI Key: PXQPEWDEAKTCGB-UHFFFAOYSA-N Synonym: orotic acid,6-carboxyuracil,orodin,oropur,orotonin,orotonsan,oroturic,orotyl,vitamin b13,whey factor PubChem CID: 967 ChEBI: CHEBI:16742 IUPAC Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid SMILES: C1=C(NC(=O)NC1=O)C(=O)O
| PubChem CID | 967 |
|---|---|
| CAS | 65-86-1 |
| Molecular Weight (g/mol) | 156.1 |
| ChEBI | CHEBI:16742 |
| SMILES | C1=C(NC(=O)NC1=O)C(=O)O |
| Synonym | orotic acid,6-carboxyuracil,orodin,oropur,orotonin,orotonsan,oroturic,orotyl,vitamin b13,whey factor |
| IUPAC Name | 2,4-dioxo-1H-pyrimidine-6-carboxylic acid |
| InChI Key | PXQPEWDEAKTCGB-UHFFFAOYSA-N |
| Molecular Formula | C5H4N2O4 |
5-Hydroxyindole-3-acetic Acid, 99%
CAS: 54-16-0 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.19 MDL Number: MFCD00005639 InChI Key: DUUGKQCEGZLZNO-UHFFFAOYSA-N Synonym: 5-hydroxyindole-3-acetic acid,5-hiaa,2-5-hydroxy-1h-indol-3-yl acetic acid,5-hydroxyindoleacetic acid,5-hydroxyheteroauxin,5-hydroxy-1h-indol-3-yl acetic acid,5-oxyindoleacetic acid,hydroxyindoleacetic acid,5-hydroxy-iaa,5-hydroxyindol-3-ylacetic acid PubChem CID: 1826 ChEBI: CHEBI:27823 IUPAC Name: 2-(5-hydroxy-1H-indol-3-yl)acetic acid SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(=O)O
| PubChem CID | 1826 |
|---|---|
| CAS | 54-16-0 |
| Molecular Weight (g/mol) | 191.19 |
| ChEBI | CHEBI:27823 |
| MDL Number | MFCD00005639 |
| SMILES | C1=CC2=C(C=C1O)C(=CN2)CC(=O)O |
| Synonym | 5-hydroxyindole-3-acetic acid,5-hiaa,2-5-hydroxy-1h-indol-3-yl acetic acid,5-hydroxyindoleacetic acid,5-hydroxyheteroauxin,5-hydroxy-1h-indol-3-yl acetic acid,5-oxyindoleacetic acid,hydroxyindoleacetic acid,5-hydroxy-iaa,5-hydroxyindol-3-ylacetic acid |
| IUPAC Name | 2-(5-hydroxy-1H-indol-3-yl)acetic acid |
| InChI Key | DUUGKQCEGZLZNO-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO3 |
(+)-Quinidine
CAS: 56-54-2 Molecular Formula: C20H24N2O2 Molecular Weight (g/mol): 324.42 MDL Number: MFCD00135581,MFCD00198096 InChI Key: LOUPRKONTZGTKE-LHHVKLHASA-N Synonym: quinidine,+-quinidine,chinidin,pitayine,cin-quin,8r,9s-quinidine,conquinine,conchinin,quinidex,conchinine PubChem CID: 441074 ChEBI: CHEBI:28593 IUPAC Name: (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol SMILES: COC1=CC=C2N=CC=C([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)C2=C1
| PubChem CID | 441074 |
|---|---|
| CAS | 56-54-2 |
| Molecular Weight (g/mol) | 324.42 |
| ChEBI | CHEBI:28593 |
| MDL Number | MFCD00135581,MFCD00198096 |
| SMILES | COC1=CC=C2N=CC=C([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)C2=C1 |
| Synonym | quinidine,+-quinidine,chinidin,pitayine,cin-quin,8r,9s-quinidine,conquinine,conchinin,quinidex,conchinine |
| IUPAC Name | (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol |
| InChI Key | LOUPRKONTZGTKE-LHHVKLHASA-N |
| Molecular Formula | C20H24N2O2 |
2,5-Diphenyloxazole, 99%
CAS: 92-71-7 Molecular Formula: C15H11NO Molecular Weight (g/mol): 221.26 MDL Number: MFCD00005306 InChI Key: CNRNYORZJGVOSY-UHFFFAOYSA-N Synonym: 2,5-diphenyloxazole,oxazole, 2,5-diphenyl,tritosol,2,5-diphenyl-oxazole,ppo scintillator,dpo scintillator,usaf ek-6775,ppo van,ppo,ppo scintillator van PubChem CID: 7105 IUPAC Name: 2,5-diphenyl-1,3-oxazole SMILES: O1C(=CN=C1C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 7105 |
|---|---|
| CAS | 92-71-7 |
| Molecular Weight (g/mol) | 221.26 |
| MDL Number | MFCD00005306 |
| SMILES | O1C(=CN=C1C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2,5-diphenyloxazole,oxazole, 2,5-diphenyl,tritosol,2,5-diphenyl-oxazole,ppo scintillator,dpo scintillator,usaf ek-6775,ppo van,ppo,ppo scintillator van |
| IUPAC Name | 2,5-diphenyl-1,3-oxazole |
| InChI Key | CNRNYORZJGVOSY-UHFFFAOYSA-N |
| Molecular Formula | C15H11NO |
Caffeine, 98.5%, specified according to the req. of USP/BP
CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C
| PubChem CID | 2519 |
|---|---|
| CAS | 58-08-2 |
| Molecular Weight (g/mol) | 194.19 |
| ChEBI | CHEBI:27732 |
| MDL Number | MFCD00005758 |
| SMILES | CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
| Synonym | caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep |
| IUPAC Name | 1,3,7-trimethylpurine-2,6-dione |
| InChI Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| Molecular Formula | C8H10N4O2 |
N-Hydroxysulfosuccinimide sodium salt, 97%
CAS: 106627-54-7 Molecular Formula: C4H4NNaO6S Molecular Weight (g/mol): 217.127 MDL Number: MFCD00043100 InChI Key: RPENMORRBUTCPR-UHFFFAOYSA-M Synonym: n-hydroxysulfosuccinimide sodium salt,sulfo-nhs,sodium 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate,n-hydroxysulfosuccinimidesodiumsalt,3-pyrrolidinesulfonic acid, 1-hydroxy-2,5-dioxo-, monosodium salt,sodium 1-hydroxy-2,5-dioxo-pyrrolidine-3-sulfonate,n-hydroxusulfosuccinimide sodium,n-hydroxy-2-sodiosulfo succinimide,n-hydroxysulfosuccinimide,sodium salt,n-hydroxusulfosuccinimide sodium salt PubChem CID: 3520574 IUPAC Name: sodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate SMILES: C1C(C(=O)N(C1=O)O)S(=O)(=O)[O-].[Na+]
| PubChem CID | 3520574 |
|---|---|
| CAS | 106627-54-7 |
| Molecular Weight (g/mol) | 217.127 |
| MDL Number | MFCD00043100 |
| SMILES | C1C(C(=O)N(C1=O)O)S(=O)(=O)[O-].[Na+] |
| Synonym | n-hydroxysulfosuccinimide sodium salt,sulfo-nhs,sodium 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate,n-hydroxysulfosuccinimidesodiumsalt,3-pyrrolidinesulfonic acid, 1-hydroxy-2,5-dioxo-, monosodium salt,sodium 1-hydroxy-2,5-dioxo-pyrrolidine-3-sulfonate,n-hydroxusulfosuccinimide sodium,n-hydroxy-2-sodiosulfo succinimide,n-hydroxysulfosuccinimide,sodium salt,n-hydroxusulfosuccinimide sodium salt |
| IUPAC Name | sodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate |
| InChI Key | RPENMORRBUTCPR-UHFFFAOYSA-M |
| Molecular Formula | C4H4NNaO6S |
4-Amino-4H-1,2,4-triazole, 99%
CAS: 584-13-4 Molecular Formula: C2H4N4 Molecular Weight (g/mol): 84.08 MDL Number: MFCD00003099 InChI Key: FMCUPJKTGNBGEC-UHFFFAOYSA-N Synonym: 4-amino-1,2,4-triazole,4-amino-4h-1,2,4-triazole,4h-1,2,4-triazol-4-amine,1-amino-1,3,4-triazole,4h-1,2,4-triazole, 4-amino,1-amino-1h-1,3,4-triazole,4-amino-1,2,4 4h-triazole,4h-1,2,4-triazol-4-ylamine,1-amino-1,4-triazole,4-amino-1,4-triazole PubChem CID: 11432 IUPAC Name: 1,2,4-triazol-4-amine SMILES: C1=NN=CN1N
| PubChem CID | 11432 |
|---|---|
| CAS | 584-13-4 |
| Molecular Weight (g/mol) | 84.08 |
| MDL Number | MFCD00003099 |
| SMILES | C1=NN=CN1N |
| Synonym | 4-amino-1,2,4-triazole,4-amino-4h-1,2,4-triazole,4h-1,2,4-triazol-4-amine,1-amino-1,3,4-triazole,4h-1,2,4-triazole, 4-amino,1-amino-1h-1,3,4-triazole,4-amino-1,2,4 4h-triazole,4h-1,2,4-triazol-4-ylamine,1-amino-1,4-triazole,4-amino-1,4-triazole |
| IUPAC Name | 1,2,4-triazol-4-amine |
| InChI Key | FMCUPJKTGNBGEC-UHFFFAOYSA-N |
| Molecular Formula | C2H4N4 |
Azure I
CAS: 531-55-5 Molecular Formula: C15H16ClN3S Molecular Weight (g/mol): 305.824 MDL Number: MFCD00011935 InChI Key: DNDJEIWCTMMZBX-UHFFFAOYSA-N Synonym: azure b,azure i,methylene azure b,3-dimethylamino-7-methylamino phenothiazin-5-ium chloride,trimethylthionine chloride,azur i,methyleneazure,methylene azure van,unii-7c8bel8wqv,modr kresylova bb czech PubChem CID: 68275 IUPAC Name: dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium;chloride SMILES: CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]
| PubChem CID | 68275 |
|---|---|
| CAS | 531-55-5 |
| Molecular Weight (g/mol) | 305.824 |
| MDL Number | MFCD00011935 |
| SMILES | CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-] |
| Synonym | azure b,azure i,methylene azure b,3-dimethylamino-7-methylamino phenothiazin-5-ium chloride,trimethylthionine chloride,azur i,methyleneazure,methylene azure van,unii-7c8bel8wqv,modr kresylova bb czech |
| IUPAC Name | dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium;chloride |
| InChI Key | DNDJEIWCTMMZBX-UHFFFAOYSA-N |
| Molecular Formula | C15H16ClN3S |
trans-Stilbene oxide, 99%, Thermo Scientific Chemicals
CAS: 1439-07-2 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.25 MDL Number: MFCD00064311 InChI Key: ARCJQKUWGAZPFX-KWCCSABGSA-N Synonym: trans-stilbene oxide,3r-2,3-diphenyloxirane,2r-2alpha,3-diphenyloxirane PubChem CID: 5742860 IUPAC Name: (3R)-2,3-diphenyloxirane SMILES: C1=CC=C(C=C1)C2C(O2)C3=CC=CC=C3
| PubChem CID | 5742860 |
|---|---|
| CAS | 1439-07-2 |
| Molecular Weight (g/mol) | 196.25 |
| MDL Number | MFCD00064311 |
| SMILES | C1=CC=C(C=C1)C2C(O2)C3=CC=CC=C3 |
| Synonym | trans-stilbene oxide,3r-2,3-diphenyloxirane,2r-2alpha,3-diphenyloxirane |
| IUPAC Name | (3R)-2,3-diphenyloxirane |
| InChI Key | ARCJQKUWGAZPFX-KWCCSABGSA-N |
| Molecular Formula | C14H12O |
Xanthane Hydride 95.0+%, TCI America™
CAS: 6846-35-1 Molecular Formula: C2H2N2S3 Molecular Weight (g/mol): 150.232 MDL Number: MFCD00051660 InChI Key: YWZHEXZIISFIDA-UHFFFAOYSA-N Synonym: xanthane hydride,3-amino-1,2,4-dithiazole-5-thione,5-imino-1,2,4-dithiazolidine-3-thione,xanthanohydrogen,isoperthiocyanic acid,5-amino-3h-1,2,4-dithiazole-3-thione,xanthahydrogen,1,2,4-dithiazolidine-3-thione, 5-imino,1,2,4-dithiazole-3-thione, 5-amino,5-imino-5h-1,2,4 dithiazole-3-thiol PubChem CID: 2735329 IUPAC Name: 5-amino-1,2,4-dithiazole-3-thione SMILES: C1(=NC(=S)SS1)N
| PubChem CID | 2735329 |
|---|---|
| CAS | 6846-35-1 |
| Molecular Weight (g/mol) | 150.232 |
| MDL Number | MFCD00051660 |
| SMILES | C1(=NC(=S)SS1)N |
| Synonym | xanthane hydride,3-amino-1,2,4-dithiazole-5-thione,5-imino-1,2,4-dithiazolidine-3-thione,xanthanohydrogen,isoperthiocyanic acid,5-amino-3h-1,2,4-dithiazole-3-thione,xanthahydrogen,1,2,4-dithiazolidine-3-thione, 5-imino,1,2,4-dithiazole-3-thione, 5-amino,5-imino-5h-1,2,4 dithiazole-3-thiol |
| IUPAC Name | 5-amino-1,2,4-dithiazole-3-thione |
| InChI Key | YWZHEXZIISFIDA-UHFFFAOYSA-N |
| Molecular Formula | C2H2N2S3 |
o-Cresolphthalein, TCI America™
CAS: 596-27-0 Molecular Formula: C22H18O4 Molecular Weight (g/mol): 346.38 MDL Number: MFCD00005912 InChI Key: CPBJMKMKNCRKQB-UHFFFAOYSA-N Synonym: o-cresolphthalein,cresolphthalein,3,3'-dimethylphenolphthalein,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-3-methylphenyl,3',3-dimethylphenolphthalein,o-cresolphalein,3,3-bis 4-hydroxy-3-methylphenyl isobenzofuran-1 3h-one,unii-xou2d9049g,phenolphthalein, 3',3-dimethyl,3,3-bis 4-hydroxy-m-tolyl phthalide PubChem CID: 68995 IUPAC Name: 3,3-bis(4-hydroxy-3-methylphenyl)-1,3-dihydro-2-benzofuran-1-one SMILES: CC1=CC(=CC=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C(C)=C1
| PubChem CID | 68995 |
|---|---|
| CAS | 596-27-0 |
| Molecular Weight (g/mol) | 346.38 |
| MDL Number | MFCD00005912 |
| SMILES | CC1=CC(=CC=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C(C)=C1 |
| Synonym | o-cresolphthalein,cresolphthalein,3,3'-dimethylphenolphthalein,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-3-methylphenyl,3',3-dimethylphenolphthalein,o-cresolphalein,3,3-bis 4-hydroxy-3-methylphenyl isobenzofuran-1 3h-one,unii-xou2d9049g,phenolphthalein, 3',3-dimethyl,3,3-bis 4-hydroxy-m-tolyl phthalide |
| IUPAC Name | 3,3-bis(4-hydroxy-3-methylphenyl)-1,3-dihydro-2-benzofuran-1-one |
| InChI Key | CPBJMKMKNCRKQB-UHFFFAOYSA-N |
| Molecular Formula | C22H18O4 |
(R)-Epichlorohydrin 98.0+%, TCI America™
CAS: 51594-55-9 Molecular Formula: C3H5ClO Molecular Weight (g/mol): 92.52 MDL Number: MFCD00077759 InChI Key: BRLQWZUYTZBJKN-VKHMYHEASA-N Synonym: r---epichlorohydrin,r-epichlorohydrin,2r-2-chloromethyl oxirane,--epichlorohydrin,r-chloromethyl oxirane,r-2-chloromethyl oxirane,epichlorohydrin,-,unii-vec01h609i,r-1-chloro-2,3-epoxypropane PubChem CID: 2734062 ChEBI: CHEBI:18662 IUPAC Name: (2R)-2-(chloromethyl)oxirane SMILES: ClC[C@H]1CO1
| PubChem CID | 2734062 |
|---|---|
| CAS | 51594-55-9 |
| Molecular Weight (g/mol) | 92.52 |
| ChEBI | CHEBI:18662 |
| MDL Number | MFCD00077759 |
| SMILES | ClC[C@H]1CO1 |
| Synonym | r---epichlorohydrin,r-epichlorohydrin,2r-2-chloromethyl oxirane,--epichlorohydrin,r-chloromethyl oxirane,r-2-chloromethyl oxirane,epichlorohydrin,-,unii-vec01h609i,r-1-chloro-2,3-epoxypropane |
| IUPAC Name | (2R)-2-(chloromethyl)oxirane |
| InChI Key | BRLQWZUYTZBJKN-VKHMYHEASA-N |
| Molecular Formula | C3H5ClO |
Roflumilast 98.0+%, TCI America™
CAS: 162401-32-3 Molecular Formula: C17H14Cl2F2N2O3 Molecular Weight (g/mol): 403.207 MDL Number: MFCD00938270 InChI Key: MNDBXUUTURYVHR-UHFFFAOYSA-N Synonym: 3-(Cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide PubChem CID: 449193 ChEBI: CHEBI:47657 IUPAC Name: 3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide SMILES: C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)F
| PubChem CID | 449193 |
|---|---|
| CAS | 162401-32-3 |
| Molecular Weight (g/mol) | 403.207 |
| ChEBI | CHEBI:47657 |
| MDL Number | MFCD00938270 |
| SMILES | C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)F |
| Synonym | 3-(Cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide |
| IUPAC Name | 3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide |
| InChI Key | MNDBXUUTURYVHR-UHFFFAOYSA-N |
| Molecular Formula | C17H14Cl2F2N2O3 |