2-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1-(phenylmethyl)-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1-(phenylmethyl)-3H-benzimidazole-5-carboxylic acid Openeye Name: 1-benzyl-2-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-benzimidazole-5-carboxylic acid CAS Name: 2-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-1-(phenylmethyl)-3H-benzimidazole-5-carboxylic acid IUPAC Name: 1-benzyl-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-benzimidazole-5-carboxylic acid Traditional Name: 1-benzyl-2-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-3H-benzimidazole-5-carboxylic acid Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)O)NC2=C4C=CC(=O)C(=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)O)NC2=C4C=CC(=O)C(=C4)O

InChI

InChI=1S/C21H16N2O4/c24-18-9-7-14(11-19(18)25)20-22-16-10-15(21(26)27)6-8-17(16)23(20)12-13-4-2-1-3-5-13/h1-11,22,25H,12H2,(H,26,27)