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

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1H-pyrazole-5-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1H-pyrazole-5-carboxylate CAS Name: 1H-pyrazole-5-carboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1H-pyrazole-5-carboxylate Traditional Name: 1H-pyrazole-5-carboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C13H11BrN2O4 MolecularWeight: 339.14144

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C3=CC=NN3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C3=CC=NN3

InChI

InChI=1S/C13H11BrN2O4/c14-9-6-12-11(18-3-4-19-12)5-8(9)7-20-13(17)10-1-2-15-16-10/h1-2,5-6H,3-4,7H2,(H,15,16)