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

Systemtic Name: 4-[(4Z)-4-[[2-(4-tert-butylphenoxy)-5-nitro-phenyl]methylidene]-5-oxidanylidene-3-propan-2-yl-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[[2-(4-tert-butylphenoxy)-5-nitro-phenyl]methylene]-3-isopropyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[[2-(4-tert-butylphenoxy)-5-nitrophenyl]methylidene]-5-oxo-3-propan-2-yl-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[[2-(4-tert-butylphenoxy)-5-nitrophenyl]methylidene]-5-oxo-3-propan-2-ylpyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-[2-(4-tert-butylphenoxy)-5-nitro-benzylidene]-3-isopropyl-5-keto-2-pyrazolin-1-yl]benzoic acid Formula: C30H29N3O6 MolecularWeight: 527.56776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=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(C)C\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/C30H29N3O6/c1-18(2)27-25(28(34)32(31-27)22-10-6-19(7-11-22)29(35)36)17-20-16-23(33(37)38)12-15-26(20)39-24-13-8-21(9-14-24)30(3,4)5/h6-18H,1-5H3,(H,35,36)/b25-17-