methyl (3S,4S)-3,5,5-trimethyl-4-(4-methylphenyl)-4H-pyrazole-3-carboxylate

Systemtic Name: methyl (3S,4S)-3,5,5-trimethyl-4-(4-methylphenyl)-4H-pyrazole-3-carboxylate Openeye Name: methyl (3S,4S)-3,5,5-trimethyl-4-(p-tolyl)-4H-pyrazole-3-carboxylate CAS Name: (3S,4S)-3,5,5-trimethyl-4-(4-methylphenyl)-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-3,5,5-trimethyl-4-(4-methylphenyl)-4H-pyrazole-3-carboxylate Traditional Name: (3S,4S)-3,5,5-trimethyl-4-(p-tolyl)-1-pyrazoline-3-carboxylic acid methyl ester Formula: C15H20N2O2 MolecularWeight: 260.3315

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(N=NC2(C)C(=O)OC)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@@](N=NC2(C)C)(C)C(=O)OC

InChI

InChI=1S/C15H20N2O2/c1-10-6-8-11(9-7-10)12-14(2,3)16-17-15(12,4)13(18)19-5/h6-9,12H,1-5H3/t12-,15-/m0/s1