4-[(Z)-1-cyano-2-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)ethenyl]benzoic acid

Systemtic Name: 4-[(Z)-1-cyano-2-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)ethenyl]benzoic acid Openeye Name: 4-[(Z)-1-cyano-2-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)vinyl]benzoic acid CAS Name: 4-[(Z)-1-cyano-2-(1,3-dimethyl-2-oxo-5-benzimidazolyl)ethenyl]benzoic acid IUPAC Name: 4-[(Z)-1-cyano-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethenyl]benzoic acid Traditional Name: 4-[(Z)-1-cyano-2-(2-keto-1,3-dimethyl-benzimidazol-5-yl)vinyl]benzoic acid Formula: C19H15N3O3 MolecularWeight: 333.3407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C=C(C#N)C3=CC=C(C=C3)C(=O)O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)/C=C(\C#N)/C3=CC=C(C=C3)C(=O)O)N(C1=O)C

InChI

InChI=1S/C19H15N3O3/c1-21-16-8-3-12(10-17(16)22(2)19(21)25)9-15(11-20)13-4-6-14(7-5-13)18(23)24/h3-10H,1-2H3,(H,23,24)/b15-9+