trimethyl (3S,4R)-2-(4-methylphenyl)-3,4-dihydropyrazole-3,4,5-tricarboxylate

Systemtic Name: trimethyl (3S,4R)-2-(4-methylphenyl)-3,4-dihydropyrazole-3,4,5-tricarboxylate Openeye Name: trimethyl (3S,4R)-2-(p-tolyl)-3,4-dihydropyrazole-3,4,5-tricarboxylate CAS Name: (3S,4R)-2-(4-methylphenyl)-3,4-dihydropyrazole-3,4,5-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (3S,4R)-2-(4-methylphenyl)-3,4-dihydropyrazole-3,4,5-tricarboxylate Traditional Name: (4R,5S)-1-(p-tolyl)-2-pyrazoline-3,4,5-tricarboxylic acid trimethyl ester Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(C(=N2)C(=O)OC)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@@H]([C@H](C(=N2)C(=O)OC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H18N2O6/c1-9-5-7-10(8-6-9)18-13(16(21)24-4)11(14(19)22-2)12(17-18)15(20)23-3/h5-8,11,13H,1-4H3/t11-,13-/m0/s1