(4E)-5-methyl-4-[[(5-nitro-2-oxidanyl-phenyl)amino]methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-5-methyl-4-[[(5-nitro-2-oxidanyl-phenyl)amino]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[(2-hydroxy-5-nitro-anilino)methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[(2-hydroxy-5-nitroanilino)methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[(2-hydroxy-5-nitroanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[(2-hydroxy-5-nitro-anilino)methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C17H14N4O4 MolecularWeight: 338.31746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=C(C=CC(=C2)[N+](=O)[O-])O)C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NC2=C(C=CC(=C2)[N+](=O)[O-])O)C3=CC=CC=C3

InChI

InChI=1S/C17H14N4O4/c1-11-14(17(23)20(19-11)12-5-3-2-4-6-12)10-18-15-9-13(21(24)25)7-8-16(15)22/h2-10,18,22H,1H3/b14-10+