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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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