(4E)-5-methyl-4-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-5-methyl-4-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4E)-5-methyl-4-[[4-[(5-nitro-2-pyridyl)oxy]phenyl]methylene]-2-phenyl-pyrazol-3-one CAS Name: (4E)-5-methyl-4-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4E)-5-methyl-4-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-2-phenylpyrazol-3-one Traditional Name: (4E)-5-methyl-4-[4-[(5-nitro-2-pyridyl)oxy]benzylidene]-2-phenyl-2-pyrazolin-3-one Formula: C22H16N4O4 MolecularWeight: 400.38684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)OC3=NC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)OC3=NC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H16N4O4/c1-15-20(22(27)25(24-15)17-5-3-2-4-6-17)13-16-7-10-19(11-8-16)30-21-12-9-18(14-23-21)26(28)29/h2-14H,1H3/b20-13+