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

Systemtic Name: methyl 4-[2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]benzoate Openeye Name: methyl 4-[3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C19H16N2O3 MolecularWeight: 320.34194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C19H16N2O3/c1-24-19(23)16-9-7-14(8-10-16)11-17(12-20)18(22)21-13-15-5-3-2-4-6-15/h2-11H,13H2,1H3,(H,21,22)