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

Systemtic Name: 3-[(4Z)-4-[[2-(4-methylphenoxy)-5-nitro-phenyl]methylidene]-5-oxidanylidene-3-propan-2-yl-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-3-isopropyl-4-[[2-(4-methylphenoxy)-5-nitro-phenyl]methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[[2-(4-methylphenoxy)-5-nitrophenyl]methylidene]-5-oxo-3-propan-2-yl-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[[2-(4-methylphenoxy)-5-nitrophenyl]methylidene]-5-oxo-3-propan-2-ylpyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-3-isopropyl-5-keto-4-[2-(4-methylphenoxy)-5-nitro-benzylidene]-2-pyrazolin-1-yl]benzoic acid Formula: C27H23N3O6 MolecularWeight: 485.48802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C=C3C(=NN(C3=O)C4=CC=CC(=C4)C(=O)O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])/C=C\3/C(=NN(C3=O)C4=CC=CC(=C4)C(=O)O)C(C)C

InChI

InChI=1S/C27H23N3O6/c1-16(2)25-23(26(31)29(28-25)20-6-4-5-18(13-20)27(32)33)15-19-14-21(30(34)35)9-12-24(19)36-22-10-7-17(3)8-11-22/h4-16H,1-3H3,(H,32,33)/b23-15-