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

Systemtic Name: 1-(3-butanoyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonan-7-yl)butan-1-one Openeye Name: 1-(3-butanoyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonan-7-yl)butan-1-one CAS Name: 1-[5-nitro-3-(1-oxobutyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]-1-butanone IUPAC Name: 1-(3-butanoyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonan-7-yl)butan-1-one Traditional Name: 1-(3-butyryl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonan-7-yl)butan-1-one Formula: C14H24N4O4 MolecularWeight: 312.36476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N4O4/c1-3-5-12(19)16-8-14(18(21)22)7-15(10-16)11-17(9-14)13(20)6-4-2/h3-11H2,1-2H3