dimethyl 3-[4-[(2-chloranyl-4-fluoranyl-phenyl)carbonylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(2-chloranyl-4-fluoranyl-phenyl)carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(2-chloro-4-fluoro-benzoyl)amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[(2-chloro-4-fluorophenyl)-oxomethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(2-chloro-4-fluorobenzoyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(2-chloro-4-fluoro-benzoyl)amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C17H17ClFN3O5 MolecularWeight: 397.785383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=C(C=C(C=C2)F)Cl

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C17H17ClFN3O5/c1-26-15(23)6-12(7-16(24)27-2)22-9-11(8-20-22)21-17(25)13-4-3-10(19)5-14(13)18/h3-5,8-9,12H,6-7H2,1-2H3,(H,21,25)