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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4/c1-3-17-14(20)10(2)22-15(21)11-4-6-12(7-5-11)18-13(19)8-9-16/h4-7,10H,3,8H2,1-2H3,(H,17,20)(H,18,19)/t10-/m0/s1