4-[(4Z)-4-[[2-(4-tert-butylphenoxy)-5-nitro-phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-4-[[2-(4-tert-butylphenoxy)-5-nitro-phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[[2-(4-tert-butylphenoxy)-5-nitro-phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[[2-(4-tert-butylphenoxy)-5-nitrophenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[[2-(4-tert-butylphenoxy)-5-nitrophenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-[2-(4-tert-butylphenoxy)-5-nitro-benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C28H25N3O6 MolecularWeight: 499.5146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C28H25N3O6/c1-17-24(26(32)30(29-17)21-9-5-18(6-10-21)27(33)34)16-19-15-22(31(35)36)11-14-25(19)37-23-12-7-20(8-13-23)28(2,3)4/h5-16H,1-4H3,(H,33,34)/b24-16-