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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(=CC2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)O)/C#N

InChI

InChI=1S/C24H18N2O4/c25-15-20(23(27)26-21-7-2-1-3-8-21)14-19-6-4-5-9-22(19)30-16-17-10-12-18(13-11-17)24(28)29/h1-14H,16H2,(H,26,27)(H,28,29)/b20-14+