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

Systemtic Name: methyl (4S,5S)-5-ethanoyl-4-phenyl-3,4-dihydropyrazole-5-carboxylate Openeye Name: methyl (4S,5S)-5-acetyl-4-phenyl-3,4-dihydropyrazole-5-carboxylate CAS Name: (4S,5S)-5-acetyl-4-phenyl-3,4-dihydropyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl (4S,5S)-5-acetyl-4-phenyl-3,4-dihydropyrazole-5-carboxylate Traditional Name: (3S,4S)-3-acetyl-4-phenyl-1-pyrazoline-3-carboxylic acid methyl ester Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(CN=N1)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-9(16)13(12(17)18-2)11(8-14-15-13)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3/t11-,13-/m1/s1