methyl 5-(3-nitrophenyl)-5-oxidanyl-1-(phenylcarbonyl)-4H-pyrazole-3-carboxylate

Systemtic Name: methyl 5-(3-nitrophenyl)-5-oxidanyl-1-(phenylcarbonyl)-4H-pyrazole-3-carboxylate Openeye Name: methyl 1-benzoyl-5-hydroxy-5-(3-nitrophenyl)-4H-pyrazole-3-carboxylate CAS Name: 1-benzoyl-5-hydroxy-5-(3-nitrophenyl)-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-benzoyl-5-hydroxy-5-(3-nitrophenyl)-4H-pyrazole-3-carboxylate Traditional Name: 1-benzoyl-5-hydroxy-5-(3-nitrophenyl)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C18H15N3O6 MolecularWeight: 369.3282

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O6/c1-27-17(23)15-11-18(24,13-8-5-9-14(10-13)21(25)26)20(19-15)16(22)12-6-3-2-4-7-12/h2-10,24H,11H2,1H3