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

Systemtic Name: 3-[(4Z)-4-[[5-(2-methoxy-4-nitro-phenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[[5-(2-methoxy-4-nitro-phenyl)-2-furyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[[5-(2-methoxy-4-nitrophenyl)-2-furanyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-5-keto-4-[[5-(2-methoxy-4-nitro-phenyl)-2-furyl]methylene]-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C23H17N3O7 MolecularWeight: 447.39698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])OC)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])OC)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C23H17N3O7/c1-13-19(22(27)25(24-13)15-5-3-4-14(10-15)23(28)29)12-17-7-9-20(33-17)18-8-6-16(26(30)31)11-21(18)32-2/h3-12H,1-2H3,(H,28,29)/b19-12-