[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-pyrrol-1-ylbenzoate

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-pyrrol-1-ylbenzoate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C23H18N4O3 MolecularWeight: 398.41402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)COC(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)COC(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C23H18N4O3/c1-26-20-10-3-2-9-19(20)25-22(26)18(14-24)21(28)15-30-23(29)16-7-6-8-17(13-16)27-11-4-5-12-27/h2-13,25H,15H2,1H3/b22-18+