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

Systemtic Name: 4-[4-[(3-bromanyl-4-methoxy-phenyl)methylidene]-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Openeye Name: 4-[4-[(3-bromo-4-methoxy-phenyl)methylene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid CAS Name: 4-[4-[(3-bromo-4-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-1-pyrazolyl]benzoic acid IUPAC Name: 4-[4-[(3-bromo-4-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid Traditional Name: 4-[4-(3-bromo-4-methoxy-benzylidene)-5-keto-3-(trifluoromethyl)-2-pyrazolin-1-yl]benzoic acid Formula: C19H12BrF3N2O4 MolecularWeight: 469.20879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12BrF3N2O4/c1-29-15-7-2-10(9-14(15)20)8-13-16(19(21,22)23)24-25(17(13)26)12-5-3-11(4-6-12)18(27)28/h2-9H,1H3,(H,27,28)