4-(5-methoxy-2-oxidanyl-phenyl)carbonyl-5-methyl-2-(3-nitrophenyl)-1H-pyrazol-3-one

Systemtic Name: 4-(5-methoxy-2-oxidanyl-phenyl)carbonyl-5-methyl-2-(3-nitrophenyl)-1H-pyrazol-3-one Openeye Name: 4-(2-hydroxy-5-methoxy-benzoyl)-5-methyl-2-(3-nitrophenyl)-1H-pyrazol-3-one CAS Name: 4-[(2-hydroxy-5-methoxyphenyl)-oxomethyl]-5-methyl-2-(3-nitrophenyl)-1H-pyrazol-3-one IUPAC Name: 4-(2-hydroxy-5-methoxybenzoyl)-5-methyl-2-(3-nitrophenyl)-1H-pyrazol-3-one Traditional Name: 4-(2-hydroxy-5-methoxy-benzoyl)-5-methyl-2-(3-nitrophenyl)-3-pyrazolin-3-one Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3)OC)O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3)OC)O

InChI

InChI=1S/C18H15N3O6/c1-10-16(17(23)14-9-13(27-2)6-7-15(14)22)18(24)20(19-10)11-4-3-5-12(8-11)21(25)26/h3-9,19,22H,1-2H3