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

Systemtic Name: dimethyl (4S,5R)-4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate Openeye Name: dimethyl (4S,5R)-4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate CAS Name: (4S,5R)-4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4S,5R)-4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate Traditional Name: (4S,5R)-4-(4-chlorophenyl)-2-pyrazoline-3,5-dicarboxylic acid dimethyl ester Formula: C13H13ClN2O4 MolecularWeight: 296.70632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=NN1)C(=O)OC)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)[C@H]1[C@@H](C(=NN1)C(=O)OC)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H13ClN2O4/c1-19-12(17)10-9(7-3-5-8(14)6-4-7)11(16-15-10)13(18)20-2/h3-6,9-10,15H,1-2H3/t9-,10+/m0/s1