[4-[(E)-2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]phenyl] benzoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]phenyl] benzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]phenyl] benzoate CAS Name: benzoic acid [4-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(E)-2-cyano-3-keto-3-(phenethylamino)prop-1-enyl]phenyl] ester Formula: C25H20N2O3 MolecularWeight: 396.4379

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C25H20N2O3/c26-18-22(24(28)27-16-15-19-7-3-1-4-8-19)17-20-11-13-23(14-12-20)30-25(29)21-9-5-2-6-10-21/h1-14,17H,15-16H2,(H,27,28)/b22-17+