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

Systemtic Name: [(2R)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [(1R)-2-(dimethylamino)-1-methyl-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [(1R)-2-(dimethylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4/c1-10(14(20)18(2)3)22-15(21)11-4-6-12(7-5-11)17-13(19)8-9-16/h4-7,10H,8H2,1-3H3,(H,17,19)/t10-/m1/s1