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

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

Isomeric SMILES

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

InChI

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