ethyl 4-[[2-cyano-3-oxidanylidene-3-(2-phenylethanoylamino)prop-1-enyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-cyano-3-oxidanylidene-3-(2-phenylethanoylamino)prop-1-enyl]amino]benzoate Openeye Name: ethyl 4-[[2-cyano-3-oxo-3-[(2-phenylacetyl)amino]prop-1-enyl]amino]benzoate CAS Name: 4-[[2-cyano-3-oxo-3-[(1-oxo-2-phenylethyl)amino]prop-1-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-cyano-3-oxo-3-[(2-phenylacetyl)amino]prop-1-enyl]amino]benzoate Traditional Name: 4-[[2-cyano-3-keto-3-[(2-phenylacetyl)amino]prop-1-enyl]amino]benzoic acid ethyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C(=O)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C(=O)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H19N3O4/c1-2-28-21(27)16-8-10-18(11-9-16)23-14-17(13-22)20(26)24-19(25)12-15-6-4-3-5-7-15/h3-11,14,23H,2,12H2,1H3,(H,24,25,26)