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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4/c1-18-12(16)10-9(8-6-4-3-5-7-8)11(15-14-10)13(17)19-2/h3-7,9-10,14H,1-2H3/t9-,10+/m1/s1