dimethyl (4R,5S)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-3,4-dicarboxylate

Systemtic Name: dimethyl (4R,5S)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-3,4-dicarboxylate Openeye Name: dimethyl (4R,5S)-5-(p-tolyl)-4,5-dihydro-1H-pyrazole-3,4-dicarboxylate CAS Name: (4R,5S)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4R,5S)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-3,4-dicarboxylate Traditional Name: (4R,5S)-5-(p-tolyl)-2-pyrazoline-3,4-dicarboxylic acid dimethyl ester Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=NN2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@H](C(=NN2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C14H16N2O4/c1-8-4-6-9(7-5-8)11-10(13(17)19-2)12(16-15-11)14(18)20-3/h4-7,10-11,15H,1-3H3/t10-,11-/m1/s1