methyl (4S)-5-ethanoyl-2-phenyl-3,4-dihydropyrazole-4-carboxylate

Systemtic Name: methyl (4S)-5-ethanoyl-2-phenyl-3,4-dihydropyrazole-4-carboxylate Openeye Name: methyl (4S)-5-acetyl-2-phenyl-3,4-dihydropyrazole-4-carboxylate CAS Name: (4S)-5-acetyl-2-phenyl-3,4-dihydropyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl (4S)-5-acetyl-2-phenyl-3,4-dihydropyrazole-4-carboxylate Traditional Name: (4S)-3-acetyl-1-phenyl-2-pyrazoline-4-carboxylic acid methyl ester Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(CC1C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=NN(C[C@@H]1C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C13H14N2O3/c1-9(16)12-11(13(17)18-2)8-15(14-12)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3/t11-/m0/s1