[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: [2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: [2-(1-methylpyrrol-2-yl)-2-oxo-ethyl] 5-chloro-3-methyl-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid [2-(1-methyl-2-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylpyrrol-2-yl)-2-oxoethyl] 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid [2-keto-2-(1-methylpyrrol-2-yl)ethyl] ester Formula: C20H20ClN3O3 MolecularWeight: 385.8441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OCC(=O)C3=CC=CN3C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OCC(=O)C3=CC=CN3C)Cl

InChI

InChI=1S/C20H20ClN3O3/c1-13-6-8-15(9-7-13)11-24-19(21)18(14(2)22-24)20(26)27-12-17(25)16-5-4-10-23(16)3/h4-10H,11-12H2,1-3H3