(4Z)-4-[(4-hexoxyphenyl)methylidene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one

Systemtic Name: (4Z)-4-[(4-hexoxyphenyl)methylidene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one Openeye Name: (4Z)-4-[(4-hexoxyphenyl)methylene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one CAS Name: (4Z)-4-[(4-hexoxyphenyl)methylidene]-2-(4-nitrophenyl)-5-phenyl-3-pyrazolone IUPAC Name: (4Z)-4-[(4-hexoxyphenyl)methylidene]-2-(4-nitrophenyl)-5-phenylpyrazol-3-one Traditional Name: (4Z)-4-(4-hexoxybenzylidene)-2-(4-nitrophenyl)-5-phenyl-2-pyrazolin-3-one Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O4/c1-2-3-4-8-19-35-25-17-11-21(12-18-25)20-26-27(22-9-6-5-7-10-22)29-30(28(26)32)23-13-15-24(16-14-23)31(33)34/h5-7,9-18,20H,2-4,8,19H2,1H3/b26-20-