3-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-5-carboxylic acid Formula: C12H9BrN2O4 MolecularWeight: 325.11486

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)C3=NNC(=C3)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)C3=NNC(=C3)C(=O)O

InChI

InChI=1S/C12H9BrN2O4/c13-7-4-11-10(18-1-2-19-11)3-6(7)8-5-9(12(16)17)15-14-8/h3-5H,1-2H2,(H,14,15)(H,16,17)