3-(5-bromanyl-1-benzofuran-2-yl)-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(5-bromanyl-1-benzofuran-2-yl)-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 3-(5-bromobenzofuran-2-yl)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 3-(5-bromo-2-benzofuranyl)-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(5-bromo-1-benzofuran-2-yl)-1-methylpyrazole-4-carboxylic acid Traditional Name: 3-(5-bromobenzofuran-2-yl)-1-methyl-pyrazole-4-carboxylic acid Formula: C13H9BrN2O3 MolecularWeight: 321.12616

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(O2)C=CC(=C3)Br)C(=O)O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(O2)C=CC(=C3)Br)C(=O)O

InChI

InChI=1S/C13H9BrN2O3/c1-16-6-9(13(17)18)12(15-16)11-5-7-4-8(14)2-3-10(7)19-11/h2-6H,1H3,(H,17,18)