methyl 5-(3-nitrophenyl)-5-oxidanyl-1-pyridin-2-ylcarbonyl-4H-pyrazole-3-carboxylate

Systemtic Name: methyl 5-(3-nitrophenyl)-5-oxidanyl-1-pyridin-2-ylcarbonyl-4H-pyrazole-3-carboxylate Openeye Name: methyl 5-hydroxy-5-(3-nitrophenyl)-1-(pyridine-2-carbonyl)-4H-pyrazole-3-carboxylate CAS Name: 5-hydroxy-5-(3-nitrophenyl)-1-[oxo(2-pyridinyl)methyl]-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-5-(3-nitrophenyl)-1-(pyridine-2-carbonyl)-4H-pyrazole-3-carboxylate Traditional Name: 5-hydroxy-5-(3-nitrophenyl)-1-picolinoyl-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=CC=CC=N3

Isomeric SMILES

COC(=O)C1=NN(C(C1)(C2=CC(=CC=C2)[N+](=O)[O-])O)C(=O)C3=CC=CC=N3

InChI

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