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

Systemtic Name: methyl 2-[(E)-2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]benzoate Openeye Name: methyl 2-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]benzoate CAS Name: 2-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]benzoate Traditional Name: 2-[(E)-2-cyano-3-keto-3-(phenethylamino)prop-1-enyl]benzoic acid methyl ester Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C=C(C#N)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1/C=C(\C#N)/C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C20H18N2O3/c1-25-20(24)18-10-6-5-9-16(18)13-17(14-21)19(23)22-12-11-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,22,23)/b17-13+