(4Z)-5-tert-butyl-4-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: (4Z)-5-tert-butyl-4-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4Z)-5-tert-butyl-4-[[4-[(4-nitrophenyl)methoxy]phenyl]methylene]-2-phenyl-pyrazol-3-one CAS Name: (4Z)-5-tert-butyl-4-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4Z)-5-tert-butyl-4-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-phenylpyrazol-3-one Traditional Name: (4Z)-5-tert-butyl-4-[4-(4-nitrobenzyl)oxybenzylidene]-2-phenyl-2-pyrazolin-3-one Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)C1=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4/c1-27(2,3)25-24(26(31)29(28-25)21-7-5-4-6-8-21)17-19-11-15-23(16-12-19)34-18-20-9-13-22(14-10-20)30(32)33/h4-17H,18H2,1-3H3/b24-17-