3-(2-bromanyl-4,5-dimethoxy-phenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(2-bromanyl-4,5-dimethoxy-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(2-bromo-4,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(2-bromo-4,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C12H11BrN2O4 MolecularWeight: 327.13074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2=NNC(=C2)C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C2=NNC(=C2)C(=O)O)Br)OC

InChI

InChI=1S/C12H11BrN2O4/c1-18-10-3-6(7(13)4-11(10)19-2)8-5-9(12(16)17)15-14-8/h3-5H,1-2H3,(H,14,15)(H,16,17)