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

Systemtic Name: dimethyl (4S,5R)-5-phenyl-4,5-dihydro-1H-pyrazole-3,4-dicarboxylate Openeye Name: dimethyl (4S,5R)-5-phenyl-4,5-dihydro-1H-pyrazole-3,4-dicarboxylate CAS Name: (4S,5R)-5-phenyl-4,5-dihydro-1H-pyrazole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4S,5R)-5-phenyl-4,5-dihydro-1H-pyrazole-3,4-dicarboxylate Traditional Name: (4S,5R)-5-phenyl-2-pyrazoline-3,4-dicarboxylic acid dimethyl ester Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(NN=C1C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H]1[C@@H](NN=C1C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C13H14N2O4/c1-18-12(16)9-10(8-6-4-3-5-7-8)14-15-11(9)13(17)19-2/h3-7,9-10,14H,1-2H3/t9-,10-/m0/s1