1-(azepan-1-yl)-2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)ethanone Openeye Name: 1-(azepan-1-yl)-2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)ethanone CAS Name: 1-(1-azepanyl)-2-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)ethanone Traditional Name: 1-(azepan-1-yl)-2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)ethanone Formula: C12H17ClN4O3 MolecularWeight: 300.74138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCCCCC2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCCCCC2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H17ClN4O3/c1-9-11(13)12(17(19)20)14-16(9)8-10(18)15-6-4-2-3-5-7-15/h2-8H2,1H3