(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-(2-cyanoethanoylamino)benzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)N)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)N)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C18H15N3O4/c19-11-10-15(22)21-14-8-6-13(7-9-14)18(24)25-16(17(20)23)12-4-2-1-3-5-12/h1-9,16H,10H2,(H2,20,23)(H,21,22)