4-[[3-(1H-benzimidazol-2-yl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-(1H-benzimidazol-2-yl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[3-(1H-benzimidazol-2-yl)anilino]-4-oxo-butanoate CAS Name: 4-[3-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoate IUPAC Name: 4-[3-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoate Traditional Name: 4-[3-(1H-benzimidazol-2-yl)anilino]-4-keto-butyrate Formula: C17H14N3O3- MolecularWeight: 308.31136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C17H15N3O3/c21-15(8-9-16(22)23)18-12-5-3-4-11(10-12)17-19-13-6-1-2-7-14(13)20-17/h1-7,10H,8-9H2,(H,18,21)(H,19,20)(H,22,23)/p-1