4-[[4-(2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl)phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-(2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl)phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-(3-anilino-2-cyano-3-oxo-prop-1-enyl)phenoxy]methyl]benzoic acid CAS Name: 4-[[4-(3-anilino-2-cyano-3-oxoprop-1-enyl)phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-(3-anilino-2-cyano-3-oxoprop-1-enyl)phenoxy]methyl]benzoic acid Traditional Name: 4-[[4-(3-anilino-2-cyano-3-keto-prop-1-enyl)phenoxy]methyl]benzoic acid Formula: C24H18N2O4 MolecularWeight: 398.41072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)C#N

InChI

InChI=1S/C24H18N2O4/c25-15-20(23(27)26-21-4-2-1-3-5-21)14-17-8-12-22(13-9-17)30-16-18-6-10-19(11-7-18)24(28)29/h1-14H,16H2,(H,26,27)(H,28,29)