N-[(3E)-3-(1-cyano-2-oxidanylidene-2-phenylazanyl-ethylidene)isoindol-1-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[(3E)-3-(1-cyano-2-oxidanylidene-2-phenylazanyl-ethylidene)isoindol-1-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[(3E)-3-(2-anilino-1-cyano-2-oxo-ethylidene)isoindol-1-yl]-3,4-dimethoxy-benzamide CAS Name: N-[(3E)-3-(2-anilino-1-cyano-2-oxoethylidene)-1-isoindolyl]-3,4-dimethoxybenzamide IUPAC Name: N-[(3E)-3-(2-anilino-1-cyano-2-oxoethylidene)isoindol-1-yl]-3,4-dimethoxybenzamide Traditional Name: N-[(3E)-3-(2-anilino-1-cyano-2-keto-ethylidene)isoindol-1-yl]-3,4-dimethoxy-benzamide Formula: C26H20N4O4 MolecularWeight: 452.4614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NC(=C(C#N)C(=O)NC3=CC=CC=C3)C4=CC=CC=C42)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=N/C(=C(\C#N)/C(=O)NC3=CC=CC=C3)/C4=CC=CC=C42)OC

InChI

InChI=1S/C26H20N4O4/c1-33-21-13-12-16(14-22(21)34-2)25(31)30-24-19-11-7-6-10-18(19)23(29-24)20(15-27)26(32)28-17-8-4-3-5-9-17/h3-14H,1-2H3,(H,28,32)(H,29,30,31)/b23-20+