2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]benzoic acid

Systemtic Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]benzoic acid Openeye Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]benzoic acid CAS Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzoic acid IUPAC Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzoic acid Traditional Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]benzoic acid Formula: C17H11N3O2 MolecularWeight: 289.28814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)C(=O)O

InChI

InChI=1S/C17H11N3O2/c18-10-12(9-11-5-1-2-6-13(11)17(21)22)16-19-14-7-3-4-8-15(14)20-16/h1-9H,(H,19,20)(H,21,22)/b12-9+