methyl (5S)-5-(3-nitrophenyl)-5-oxidanyl-1-pyridin-3-ylcarbonyl-4H-pyrazole-3-carboxylate

Systemtic Name: methyl (5S)-5-(3-nitrophenyl)-5-oxidanyl-1-pyridin-3-ylcarbonyl-4H-pyrazole-3-carboxylate Openeye Name: methyl (5S)-5-hydroxy-5-(3-nitrophenyl)-1-(pyridine-3-carbonyl)-4H-pyrazole-3-carboxylate CAS Name: (5S)-5-hydroxy-5-(3-nitrophenyl)-1-[oxo(3-pyridinyl)methyl]-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl (5S)-5-hydroxy-5-(3-nitrophenyl)-1-(pyridine-3-carbonyl)-4H-pyrazole-3-carboxylate Traditional Name: (5S)-5-hydroxy-1-nicotinoyl-5-(3-nitrophenyl)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C17H14N4O6 MolecularWeight: 370.31626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(C1)(C2=CC(=CC=C2)[N+](=O)[O-])O)C(=O)C3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=NN([C@](C1)(C2=CC(=CC=C2)[N+](=O)[O-])O)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H14N4O6/c1-27-16(23)14-9-17(24,12-5-2-6-13(8-12)21(25)26)20(19-14)15(22)11-4-3-7-18-10-11/h2-8,10,24H,9H2,1H3/t17-/m0/s1