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

Systemtic Name: 4-[3-methyl-4-[[5-(4-methyl-2-nitro-phenyl)furan-2-yl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[3-methyl-4-[[5-(4-methyl-2-nitro-phenyl)-2-furyl]methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[3-methyl-4-[[5-(4-methyl-2-nitrophenyl)-2-furanyl]methylidene]-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[3-methyl-4-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[5-keto-3-methyl-4-[[5-(4-methyl-2-nitro-phenyl)-2-furyl]methylene]-2-pyrazolin-1-yl]benzoic acid Formula: C23H17N3O6 MolecularWeight: 431.39758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O6/c1-13-3-9-18(20(11-13)26(30)31)21-10-8-17(32-21)12-19-14(2)24-25(22(19)27)16-6-4-15(5-7-16)23(28)29/h3-12H,1-2H3,(H,28,29)