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

Systemtic Name: 4-(5-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrrole-3-carboxylic acid Openeye Name: 4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrrole-3-carboxylic acid CAS Name: 4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrrole-3-carboxylic acid IUPAC Name: 4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrrole-3-carboxylic acid Traditional Name: 4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrrole-3-carboxylic acid Formula: C13H10BrNO4 MolecularWeight: 324.1268

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Br)C3=CNC=C3C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Br)C3=CNC=C3C(=O)O

InChI

InChI=1S/C13H10BrNO4/c14-10-3-7(4-11-12(10)19-2-1-18-11)8-5-15-6-9(8)13(16)17/h3-6,15H,1-2H2,(H,16,17)