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

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: (2-methoxy-2-oxo-1-phenyl-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-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) 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-methoxy-1-phenyl-ethyl) ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O4/c1-14-9-11-16(12-10-14)13-25-20(23)18(15(2)24-25)21(26)29-19(22(27)28-3)17-7-5-4-6-8-17/h4-12,19H,13H2,1-3H3