dimethyl 2-[5-(2-chlorophenyl)-3-phenyl-1H-pyrazol-4-yl]cyclopropane-1,1-dicarboxylate

Systemtic Name: dimethyl 2-[5-(2-chlorophenyl)-3-phenyl-1H-pyrazol-4-yl]cyclopropane-1,1-dicarboxylate Openeye Name: dimethyl 2-[5-(2-chlorophenyl)-3-phenyl-1H-pyrazol-4-yl]cyclopropane-1,1-dicarboxylate CAS Name: 2-[5-(2-chlorophenyl)-3-phenyl-1H-pyrazol-4-yl]cyclopropane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[5-(2-chlorophenyl)-3-phenyl-1H-pyrazol-4-yl]cyclopropane-1,1-dicarboxylate Traditional Name: 2-[5-(2-chlorophenyl)-3-phenyl-1H-pyrazol-4-yl]cyclopropane-1,1-dicarboxylic acid dimethyl ester Formula: C22H19ClN2O4 MolecularWeight: 410.85026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC1C2=C(NN=C2C3=CC=CC=C3)C4=CC=CC=C4Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1(CC1C2=C(NN=C2C3=CC=CC=C3)C4=CC=CC=C4Cl)C(=O)OC

InChI

InChI=1S/C22H19ClN2O4/c1-28-20(26)22(21(27)29-2)12-15(22)17-18(13-8-4-3-5-9-13)24-25-19(17)14-10-6-7-11-16(14)23/h3-11,15H,12H2,1-2H3,(H,24,25)