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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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