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

Systemtic Name: 3-[(4Z)-3-methyl-4-[[5-(2-methyl-5-nitro-phenyl)furan-2-yl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-3-methyl-4-[[5-(2-methyl-5-nitro-phenyl)-2-furyl]methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-3-methyl-4-[[5-(2-methyl-5-nitrophenyl)-2-furanyl]methylidene]-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-3-methyl-4-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-5-keto-3-methyl-4-[[5-(2-methyl-5-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=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=CC(=C4)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C\3/C(=NN(C3=O)C4=CC=CC(=C4)C(=O)O)C

InChI

InChI=1S/C23H17N3O6/c1-13-6-7-17(26(30)31)11-19(13)21-9-8-18(32-21)12-20-14(2)24-25(22(20)27)16-5-3-4-15(10-16)23(28)29/h3-12H,1-2H3,(H,28,29)/b20-12-