methyl (3R,4S,5S)-3,5-dimethyl-4-phenyl-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: methyl (3R,4S,5S)-3,5-dimethyl-4-phenyl-3,4-dihydropyrazole-5-carboxylate Openeye Name: methyl (3R,4S,5S)-3,5-dimethyl-4-phenyl-3,4-dihydropyrazole-5-carboxylate CAS Name: (3R,4S,5S)-3,5-dimethyl-4-phenyl-3,4-dihydropyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl (3R,4S,5S)-3,5-dimethyl-4-phenyl-3,4-dihydropyrazole-5-carboxylate Traditional Name: (3S,4S,5R)-3,5-dimethyl-4-phenyl-1-pyrazoline-3-carboxylic acid methyl ester Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(N=N1)(C)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

C[C@@H]1[C@@H]([C@@](N=N1)(C)C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C13H16N2O2/c1-9-11(10-7-5-4-6-8-10)13(2,15-14-9)12(16)17-3/h4-9,11H,1-3H3/t9-,11-,13+/m1/s1