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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])Br

InChI

InChI=1S/C14H13BrN4O5/c1-7-12(15)13(19(21)22)17-18(7)8(2)14(20)16-9-3-4-10-11(5-9)24-6-23-10/h3-5,8H,6H2,1-2H3,(H,16,20)