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

Systemtic Name: 6-[(4-cyano-2-methyl-phenyl)amino]-7-fluoranyl-3H-benzimidazole-5-carboxylic acid Openeye Name: 6-(4-cyano-2-methyl-anilino)-7-fluoro-3H-benzimidazole-5-carboxylic acid CAS Name: 6-(4-cyano-2-methylanilino)-7-fluoro-3H-benzimidazole-5-carboxylic acid IUPAC Name: 6-(4-cyano-2-methylanilino)-7-fluoro-3H-benzimidazole-5-carboxylic acid Traditional Name: 6-(4-cyano-2-methyl-anilino)-7-fluoro-3H-benzimidazole-5-carboxylic acid Formula: C16H11FN4O2 MolecularWeight: 310.282543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11FN4O2/c1-8-4-9(6-18)2-3-11(8)21-14-10(16(22)23)5-12-15(13(14)17)20-7-19-12/h2-5,7,21H,1H3,(H,19,20)(H,22,23)