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

Systemtic Name: 1-(azepan-1-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)ethanone Openeye Name: 1-(azepan-1-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)ethanone CAS Name: 1-(1-azepanyl)-2-(5-methyl-3-nitro-1-pyrazolyl)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(5-methyl-3-nitropyrazol-1-yl)ethanone Traditional Name: 1-(azepan-1-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)ethanone Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O3/c1-10-8-11(16(18)19)13-15(10)9-12(17)14-6-4-2-3-5-7-14/h8H,2-7,9H2,1H3