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

Systemtic Name: methyl (4S)-5-ethanoyl-2-(4-nitrophenyl)-3,4-dihydropyrazole-4-carboxylate Openeye Name: methyl (4S)-5-acetyl-2-(4-nitrophenyl)-3,4-dihydropyrazole-4-carboxylate CAS Name: (4S)-5-acetyl-2-(4-nitrophenyl)-3,4-dihydropyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl (4S)-5-acetyl-2-(4-nitrophenyl)-3,4-dihydropyrazole-4-carboxylate Traditional Name: (4S)-3-acetyl-1-(4-nitrophenyl)-2-pyrazoline-4-carboxylic acid methyl ester Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(CC1C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O5/c1-8(17)12-11(13(18)21-2)7-15(14-12)9-3-5-10(6-4-9)16(19)20/h3-6,11H,7H2,1-2H3/t11-/m0/s1