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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-piperonyl-acetamide Formula: C14H13BrN4O5 MolecularWeight: 397.18082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])Br

InChI

InChI=1S/C14H13BrN4O5/c1-8-13(15)14(19(21)22)17-18(8)6-12(20)16-5-9-2-3-10-11(4-9)24-7-23-10/h2-4H,5-7H2,1H3,(H,16,20)