(2-chloranyl-4-fluoranyl-phenyl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (2-chloro-4-fluoro-phenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (2-chloro-4-fluorophenyl)methyl ester IUPAC Name: (2-chloro-4-fluorophenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (2-chloro-4-fluoro-benzyl) ester Formula: C17H12ClFN2O3 MolecularWeight: 346.740183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2=C(C=C(C=C2)F)Cl)NC(=O)CC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2=C(C=C(C=C2)F)Cl)NC(=O)CC#N

InChI

InChI=1S/C17H12ClFN2O3/c18-15-9-13(19)4-1-12(15)10-24-17(23)11-2-5-14(6-3-11)21-16(22)7-8-20/h1-6,9H,7,10H2,(H,21,22)