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

Systemtic Name: 3-[(4Z)-4-[(5-nitro-2-phenoxy-phenyl)methylidene]-5-oxidanylidene-3-propan-2-yl-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-3-isopropyl-4-[(5-nitro-2-phenoxy-phenyl)methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[(5-nitro-2-phenoxyphenyl)methylidene]-5-oxo-3-propan-2-yl-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[(5-nitro-2-phenoxyphenyl)methylidene]-5-oxo-3-propan-2-ylpyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-3-isopropyl-5-keto-4-(5-nitro-2-phenoxy-benzylidene)-2-pyrazolin-1-yl]benzoic acid Formula: C26H21N3O6 MolecularWeight: 471.46144

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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=CC=C3)C4=CC=CC(=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=CC=C3)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C26H21N3O6/c1-16(2)24-22(25(30)28(27-24)19-8-6-7-17(13-19)26(31)32)15-18-14-20(29(33)34)11-12-23(18)35-21-9-4-3-5-10-21/h3-16H,1-2H3,(H,31,32)/b22-15-