[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C20H16N4O4/c21-11-9-14-1-5-16(6-2-14)24-19(26)13-28-20(27)15-3-7-17(8-4-15)23-18(25)10-12-22/h1-8H,9-10,13H2,(H,23,25)(H,24,26)