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

Systemtic Name: (4E)-4-[(2-hexoxyphenyl)methylidene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[(2-hexoxyphenyl)methylene]-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one CAS Name: (4E)-4-[(2-hexoxyphenyl)methylidene]-2-(4-nitrophenyl)-5-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[(2-hexoxyphenyl)methylidene]-2-(4-nitrophenyl)-5-phenylpyrazol-3-one Traditional Name: (4E)-4-(2-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=CC=C1C=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O4/c1-2-3-4-10-19-35-26-14-9-8-13-22(26)20-25-27(21-11-6-5-7-12-21)29-30(28(25)32)23-15-17-24(18-16-23)31(33)34/h5-9,11-18,20H,2-4,10,19H2,1H3/b25-20+