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

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-[[(1R)-1-phenylethyl]amino]prop-1-enyl]benzoate Openeye Name: 4-[(E)-2-cyano-3-oxo-3-[[(1R)-1-phenylethyl]amino]prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-oxo-3-[[(1R)-1-phenylethyl]amino]prop-1-enyl]benzoate IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-[[(1R)-1-phenylethyl]amino]prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-keto-3-[[(1R)-1-phenylethyl]amino]prop-1-enyl]benzoate Formula: C19H15N2O3- MolecularWeight: 319.334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)[O-])C#N

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)[O-])/C#N

InChI

InChI=1S/C19H16N2O3/c1-13(15-5-3-2-4-6-15)21-18(22)17(12-20)11-14-7-9-16(10-8-14)19(23)24/h2-11,13H,1H3,(H,21,22)(H,23,24)/p-1/b17-11+/t13-/m1/s1