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

Systemtic Name: methyl (4S)-5-ethanoyl-2-(4-methoxyphenyl)-3,4-dihydropyrazole-4-carboxylate Openeye Name: methyl (4S)-5-acetyl-2-(4-methoxyphenyl)-3,4-dihydropyrazole-4-carboxylate CAS Name: (4S)-5-acetyl-2-(4-methoxyphenyl)-3,4-dihydropyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl (4S)-5-acetyl-2-(4-methoxyphenyl)-3,4-dihydropyrazole-4-carboxylate Traditional Name: (4S)-3-acetyl-1-(4-methoxyphenyl)-2-pyrazoline-4-carboxylic acid methyl ester Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4/c1-9(17)13-12(14(18)20-3)8-16(15-13)10-4-6-11(19-2)7-5-10/h4-7,12H,8H2,1-3H3/t12-/m0/s1