6-[(4-chloranyl-2-methyl-phenyl)amino]-7-fluoranyl-3-(2-oxidanylideneethyl)benzimidazole-5-carboxylic acid

Systemtic Name: 6-[(4-chloranyl-2-methyl-phenyl)amino]-7-fluoranyl-3-(2-oxidanylideneethyl)benzimidazole-5-carboxylic acid Openeye Name: 6-(4-chloro-2-methyl-anilino)-7-fluoro-3-(2-oxoethyl)benzimidazole-5-carboxylic acid CAS Name: 6-(4-chloro-2-methylanilino)-7-fluoro-3-(2-oxoethyl)-5-benzimidazolecarboxylic acid IUPAC Name: 6-(4-chloro-2-methylanilino)-7-fluoro-3-(2-oxoethyl)benzimidazole-5-carboxylic acid Traditional Name: 6-(4-chloro-2-methyl-anilino)-7-fluoro-3-(2-ketoethyl)benzimidazole-5-carboxylic acid Formula: C17H13ClFN3O3 MolecularWeight: 361.754823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC2=C(C3=C(C=C2C(=O)O)N(C=N3)CC=O)F

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC2=C(C3=C(C=C2C(=O)O)N(C=N3)CC=O)F

InChI

InChI=1S/C17H13ClFN3O3/c1-9-6-10(18)2-3-12(9)21-15-11(17(24)25)7-13-16(14(15)19)20-8-22(13)4-5-23/h2-3,5-8,21H,4H2,1H3,(H,24,25)