[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-2-[(4-fluorophenyl)carbonylamino]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-2-[(4-fluorophenyl)carbonylamino]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate CAS Name: 4-chloro-2-[[(4-fluorophenyl)-oxomethyl]amino]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate Traditional Name: 4-chloro-2-[(4-fluorobenzoyl)amino]benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C19H15ClFN3O4 MolecularWeight: 403.791503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)Cl)C(=O)OCC(=O)NCCC#N)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)Cl)C(=O)OCC(=O)NCCC#N)F

InChI

InChI=1S/C19H15ClFN3O4/c20-13-4-7-15(19(27)28-11-17(25)23-9-1-8-22)16(10-13)24-18(26)12-2-5-14(21)6-3-12/h2-7,10H,1,9,11H2,(H,23,25)(H,24,26)