[2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(5-chloro-2-fluoro-anilino)-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(5-chloro-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C18H13ClFN3O4 MolecularWeight: 389.764923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClFN3O4/c19-12-3-6-14(20)15(9-12)23-17(25)10-27-18(26)11-1-4-13(5-2-11)22-16(24)7-8-21/h1-6,9H,7,10H2,(H,22,24)(H,23,25)