O3-ethyl O5-methyl (3S,4R)-4-methyl-2-(4-methylphenyl)-3,4-dihydropyrazole-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-methyl (3S,4R)-4-methyl-2-(4-methylphenyl)-3,4-dihydropyrazole-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl (3S,4R)-4-methyl-2-(p-tolyl)-3,4-dihydropyrazole-3,5-dicarboxylate CAS Name: (3S,4R)-4-methyl-2-(4-methylphenyl)-3,4-dihydropyrazole-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: 3-O-ethyl 5-O-methyl (3S,4R)-4-methyl-2-(4-methylphenyl)-3,4-dihydropyrazole-3,5-dicarboxylate Traditional Name: (4R,5S)-4-methyl-1-(p-tolyl)-2-pyrazoline-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C16H20N2O4 MolecularWeight: 304.341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=NN1C2=CC=C(C=C2)C)C(=O)OC)C

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](C(=NN1C2=CC=C(C=C2)C)C(=O)OC)C

InChI

InChI=1S/C16H20N2O4/c1-5-22-16(20)14-11(3)13(15(19)21-4)17-18(14)12-8-6-10(2)7-9-12/h6-9,11,14H,5H2,1-4H3/t11-,14-/m0/s1