1-(3,5-dimethylpiperidin-1-yl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone

Systemtic Name: 1-(3,5-dimethylpiperidin-1-yl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone Openeye Name: 1-(3,5-dimethyl-1-piperidyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone CAS Name: 1-(3,5-dimethyl-1-piperidinyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-(3,5-dimethylpiperidin-1-yl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone Traditional Name: 1-(3,5-dimethylpiperidino)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone Formula: C12H19N5O3 MolecularWeight: 281.31096

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CN2C(=NC(=N2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CN2C(=NC(=N2)[N+](=O)[O-])C)C

InChI

InChI=1S/C12H19N5O3/c1-8-4-9(2)6-15(5-8)11(18)7-16-10(3)13-12(14-16)17(19)20/h8-9H,4-7H2,1-3H3