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

Systemtic Name: methyl 1-(3-nitrophenyl)carbonyl-5-oxidanyl-5-phenyl-4H-pyrazole-3-carboxylate Openeye Name: methyl 5-hydroxy-1-(3-nitrobenzoyl)-5-phenyl-4H-pyrazole-3-carboxylate CAS Name: 5-hydroxy-1-[(3-nitrophenyl)-oxomethyl]-5-phenyl-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-1-(3-nitrobenzoyl)-5-phenyl-4H-pyrazole-3-carboxylate Traditional Name: 5-hydroxy-1-(3-nitrobenzoyl)-5-phenyl-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)O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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