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

Systemtic Name: 3-[(4E)-4-[[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-4-[[5-(2-bromo-4-nitro-phenyl)-2-furyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-4-[[5-(2-bromo-4-nitrophenyl)-2-furanyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-4-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-4-[[5-(2-bromo-4-nitro-phenyl)-2-furyl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C22H14BrN3O6 MolecularWeight: 496.26706

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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-])Br)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-])Br)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C22H14BrN3O6/c1-12-18(21(27)25(24-12)14-4-2-3-13(9-14)22(28)29)11-16-6-8-20(32-16)17-7-5-15(26(30)31)10-19(17)23/h2-11H,1H3,(H,28,29)/b18-11+