(2-chloranyl-6-fluoranyl-phenyl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (2-chloro-6-fluoro-benzyl) ester Formula: C17H12ClFN2O3 MolecularWeight: 346.740183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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