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

Systemtic Name: ethyl 4-[[(E)-3-(butanoylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-3-(butanoylamino)-2-cyano-3-oxo-prop-1-enyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-oxo-3-(1-oxobutylamino)prop-1-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(butanoylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate Traditional Name: 4-[[(E)-3-butyramido-2-cyano-3-keto-prop-1-enyl]amino]benzoic acid ethyl ester Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=O)C(=CNC1=CC=C(C=C1)C(=O)OCC)C#N

Isomeric SMILES

CCCC(=O)NC(=O)/C(=C/NC1=CC=C(C=C1)C(=O)OCC)/C#N

InChI

InChI=1S/C17H19N3O4/c1-3-5-15(21)20-16(22)13(10-18)11-19-14-8-6-12(7-9-14)17(23)24-4-2/h6-9,11,19H,3-5H2,1-2H3,(H,20,21,22)/b13-11+