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

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-hexyl-ethanamide Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-hexyl-acetamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-hexylacetamide IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-hexylacetamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-hexyl-acetamide Formula: C12H19BrN4O3 MolecularWeight: 347.20826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CN1C(=C(C(=N1)[N+](=O)[O-])Br)C

Isomeric SMILES

CCCCCCNC(=O)CN1C(=C(C(=N1)[N+](=O)[O-])Br)C

InChI

InChI=1S/C12H19BrN4O3/c1-3-4-5-6-7-14-10(18)8-16-9(2)11(13)12(15-16)17(19)20/h3-8H2,1-2H3,(H,14,18)