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

Systemtic Name: (4E)-2-(4-nitrophenyl)-4-[(4-pentoxyphenyl)methylidene]-5-phenyl-pyrazol-3-one Openeye Name: (4E)-2-(4-nitrophenyl)-4-[(4-pentoxyphenyl)methylene]-5-phenyl-pyrazol-3-one CAS Name: (4E)-2-(4-nitrophenyl)-4-[(4-pentoxyphenyl)methylidene]-5-phenyl-3-pyrazolone IUPAC Name: (4E)-2-(4-nitrophenyl)-4-[(4-pentoxyphenyl)methylidene]-5-phenylpyrazol-3-one Traditional Name: (4E)-4-(4-amoxybenzylidene)-2-(4-nitrophenyl)-5-phenyl-2-pyrazolin-3-one Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCCCCOC1=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/C27H25N3O4/c1-2-3-7-18-34-24-16-10-20(11-17-24)19-25-26(21-8-5-4-6-9-21)28-29(27(25)31)22-12-14-23(15-13-22)30(32)33/h4-6,8-17,19H,2-3,7,18H2,1H3/b25-19+