1-(5-nitro-3-pentanoyl-1,3,7-triazabicyclo[3.3.1]nonan-7-yl)pentan-1-one

Systemtic Name: 1-(5-nitro-3-pentanoyl-1,3,7-triazabicyclo[3.3.1]nonan-7-yl)pentan-1-one Openeye Name: 1-(5-nitro-3-pentanoyl-1,3,7-triazabicyclo[3.3.1]nonan-7-yl)pentan-1-one CAS Name: 1-[5-nitro-3-(1-oxopentyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]-1-pentanone IUPAC Name: 1-(5-nitro-3-pentanoyl-1,3,7-triazabicyclo[3.3.1]nonan-7-yl)pentan-1-one Traditional Name: 1-(5-nitro-3-valeryl-1,3,7-triazabicyclo[3.3.1]nonan-7-yl)pentan-1-one Formula: C16H28N4O4 MolecularWeight: 340.41792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CC2(CN(C1)CN(C2)C(=O)CCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)N1CC2(CN(C1)CN(C2)C(=O)CCCC)[N+](=O)[O-]

InChI

InChI=1S/C16H28N4O4/c1-3-5-7-14(21)18-10-16(20(23)24)9-17(12-18)13-19(11-16)15(22)8-6-4-2/h3-13H2,1-2H3