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

Systemtic Name: [1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H18N4O5 MolecularWeight: 394.38072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C20H18N4O5/c1-12(19(27)24-16-6-2-13(3-7-16)18(22)26)29-20(28)14-4-8-15(9-5-14)23-17(25)10-11-21/h2-9,12H,10H2,1H3,(H2,22,26)(H,23,25)(H,24,27)