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

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylcarbonyl)phenyl]amino]ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(2-benzoylanilino)-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(2-benzoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoylanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(2-benzoylanilino)-2-keto-ethyl] ester Formula: C25H19N3O5 MolecularWeight: 441.43546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C25H19N3O5/c26-15-14-22(29)27-19-12-10-18(11-13-19)25(32)33-16-23(30)28-21-9-5-4-8-20(21)24(31)17-6-2-1-3-7-17/h1-13H,14,16H2,(H,27,29)(H,28,30)