3-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazole-5-carboxylic acid Formula: C13H11BrN2O4 MolecularWeight: 339.14144

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C3=NNC(=C3)C(=O)O)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C3=NNC(=C3)C(=O)O)Br)OC1

InChI

InChI=1S/C13H11BrN2O4/c14-8-5-12-11(19-2-1-3-20-12)4-7(8)9-6-10(13(17)18)16-15-9/h4-6H,1-3H2,(H,15,16)(H,17,18)