[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O5/c1-2-9-18-16(24)20-14(22)10-25-15(23)11-3-5-12(6-4-11)19-13(21)7-8-17/h2-6H,1,7,9-10H2,(H,19,21)(H2,18,20,22,24)