3-[[4-[(Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate

Systemtic Name: 3-[[4-[(Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: 3-[[4-[(Z)-2-cyano-3-(2-methylanilino)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 3-[[4-[(Z)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate IUPAC Name: 3-[[4-[(Z)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 3-[[4-[(Z)-2-cyano-3-keto-3-(o-toluidino)prop-1-enyl]phenoxy]methyl]benzoate Formula: C25H19N2O4- MolecularWeight: 411.42936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC(=C3)C(=O)[O-])C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)/C(=C\C2=CC=C(C=C2)OCC3=CC=CC(=C3)C(=O)[O-])/C#N

InChI

InChI=1S/C25H20N2O4/c1-17-5-2-3-8-23(17)27-24(28)21(15-26)13-18-9-11-22(12-10-18)31-16-19-6-4-7-20(14-19)25(29)30/h2-14H,16H2,1H3,(H,27,28)(H,29,30)/p-1/b21-13-