1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-nitro-pyrazole-3-carboxamide Formula: C12H9BrN4O5 MolecularWeight: 369.12766

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CN3C=C(C(=N3)C(=O)N)[N+](=O)[O-])Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C=C(C(=N3)C(=O)N)[N+](=O)[O-])Br

InChI

InChI=1S/C12H9BrN4O5/c13-7-2-10-9(21-5-22-10)1-6(7)3-16-4-8(17(19)20)11(15-16)12(14)18/h1-2,4H,3,5H2,(H2,14,18)