(4E)-4-[[2-[2-(4-tert-butylphenoxy)ethoxy]-5-nitro-phenyl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-4-[[2-[2-(4-tert-butylphenoxy)ethoxy]-5-nitro-phenyl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[2-[2-(4-tert-butylphenoxy)ethoxy]-5-nitro-phenyl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[2-[2-(4-tert-butylphenoxy)ethoxy]-5-nitrophenyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[[2-[2-(4-tert-butylphenoxy)ethoxy]-5-nitrophenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[2-[2-(4-tert-butylphenoxy)ethoxy]-5-nitro-benzylidene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OCCOC3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=C(C=CC(=C2)[N+](=O)[O-])OCCOC3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C29H29N3O5/c1-20-26(28(33)31(30-20)23-8-6-5-7-9-23)19-21-18-24(32(34)35)12-15-27(21)37-17-16-36-25-13-10-22(11-14-25)29(2,3)4/h5-15,18-19H,16-17H2,1-4H3/b26-19+