4-(4-bromanyl-2-methyl-pyrazol-3-yl)carbonyl-1,3-benzodioxole-2-carboxylate

Systemtic Name: 4-(4-bromanyl-2-methyl-pyrazol-3-yl)carbonyl-1,3-benzodioxole-2-carboxylate Openeye Name: 4-(4-bromo-2-methyl-pyrazole-3-carbonyl)-1,3-benzodioxole-2-carboxylate CAS Name: 4-[(4-bromo-2-methyl-3-pyrazolyl)-oxomethyl]-1,3-benzodioxole-2-carboxylate IUPAC Name: 4-(4-bromo-2-methylpyrazole-3-carbonyl)-1,3-benzodioxole-2-carboxylate Traditional Name: 4-(4-bromo-2-methyl-pyrazole-3-carbonyl)-1,3-benzodioxole-2-carboxylate Formula: C13H8BrN2O5- MolecularWeight: 352.11702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Br)C(=O)C2=C3C(=CC=C2)OC(O3)C(=O)[O-]

Isomeric SMILES

CN1C(=C(C=N1)Br)C(=O)C2=C3C(=CC=C2)OC(O3)C(=O)[O-]

InChI

InChI=1S/C13H9BrN2O5/c1-16-9(7(14)5-15-16)10(17)6-3-2-4-8-11(6)21-13(20-8)12(18)19/h2-5,13H,1H3,(H,18,19)/p-1