N-(1,3-benzodioxol-5-yl)-2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetamide Formula: C13H11BrN4O5 MolecularWeight: 383.15424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])Br

InChI

InChI=1S/C13H11BrN4O5/c1-7-12(14)13(18(20)21)16-17(7)5-11(19)15-8-2-3-9-10(4-8)23-6-22-9/h2-4H,5-6H2,1H3,(H,15,19)