1-(azepan-1-yl)-2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)propan-1-one Openeye Name: 1-(azepan-1-yl)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)propan-1-one CAS Name: 1-(1-azepanyl)-2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-(azepan-1-yl)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)propan-1-one Formula: C13H19BrN4O3 MolecularWeight: 359.21896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)N2CCCCCC2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)N2CCCCCC2)[N+](=O)[O-])Br

InChI

InChI=1S/C13H19BrN4O3/c1-9-11(14)12(18(20)21)15-17(9)10(2)13(19)16-7-5-3-4-6-8-16/h10H,3-8H2,1-2H3