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

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)N)OC(=O)C1=CC=C(C=C1)NC(=O)CC#N

InChI

InChI=1S/C13H13N3O4/c1-8(12(15)18)20-13(19)9-2-4-10(5-3-9)16-11(17)6-7-14/h2-5,8H,6H2,1H3,(H2,15,18)(H,16,17)/t8-/m1/s1