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

Systemtic Name: methyl 4-[[(E)-2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]amino]benzoate Openeye Name: methyl 4-[[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-keto-3-(phenethylamino)prop-1-enyl]amino]benzoic acid methyl ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3/c1-26-20(25)16-7-9-18(10-8-16)23-14-17(13-21)19(24)22-12-11-15-5-3-2-4-6-15/h2-10,14,23H,11-12H2,1H3,(H,22,24)/b17-14+