4-[4-[[2-bromanyl-4-(2-ethoxy-2-oxidanylidene-ethoxy)-5-methoxy-phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[4-[[2-bromanyl-4-(2-ethoxy-2-oxidanylidene-ethoxy)-5-methoxy-phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[4-[[2-bromo-4-(2-ethoxy-2-oxo-ethoxy)-5-methoxy-phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[4-[[2-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[4-[[2-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[4-[2-bromo-4-(2-ethoxy-2-keto-ethoxy)-5-methoxy-benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C23H21BrN2O7 MolecularWeight: 517.32604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C(=C1)Br)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C)OC

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C(=C1)Br)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C)OC

InChI

InChI=1S/C23H21BrN2O7/c1-4-32-21(27)12-33-20-11-18(24)15(10-19(20)31-3)9-17-13(2)25-26(22(17)28)16-7-5-14(6-8-16)23(29)30/h5-11H,4,12H2,1-3H3,(H,29,30)