[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(isopropylamino)-1-methyl-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4/c1-10(2)18-15(21)11(3)23-16(22)12-4-6-13(7-5-12)19-14(20)8-9-17/h4-7,10-11H,8H2,1-3H3,(H,18,21)(H,19,20)