(5E)-3-(4-nitrophenyl)carbonyl-5-[oxidanyl(phenyl)methylidene]-1H-pyrazol-4-one

Systemtic Name: (5E)-3-(4-nitrophenyl)carbonyl-5-[oxidanyl(phenyl)methylidene]-1H-pyrazol-4-one Openeye Name: (5E)-5-[hydroxy(phenyl)methylene]-3-(4-nitrobenzoyl)-1H-pyrazol-4-one CAS Name: (5E)-5-[hydroxy(phenyl)methylidene]-3-[(4-nitrophenyl)-oxomethyl]-1H-pyrazol-4-one IUPAC Name: (5E)-5-[hydroxy(phenyl)methylidene]-3-(4-nitrobenzoyl)-1H-pyrazol-4-one Traditional Name: (3E)-3-[hydroxy(phenyl)methylene]-5-(4-nitrobenzoyl)-2-pyrazolin-4-one Formula: C17H11N3O5 MolecularWeight: 337.28634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C(=O)C(=NN2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\2/C(=O)C(=NN2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])/O

InChI

InChI=1S/C17H11N3O5/c21-15(10-4-2-1-3-5-10)13-17(23)14(19-18-13)16(22)11-6-8-12(9-7-11)20(24)25/h1-9,18,21H/b15-13+