methyl 4-[3-(4-methoxy-4-oxidanylidene-butanoyl)-5-nitro-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[3-(4-methoxy-4-oxidanylidene-butanoyl)-5-nitro-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[3-(4-methoxy-4-oxo-butanoyl)-5-nitro-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]-4-oxo-butanoate CAS Name: 4-[3-(4-methoxy-1,4-dioxobutyl)-5-nitro-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[3-(4-methoxy-4-oxobutanoyl)-5-nitro-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[3-(4-keto-4-methoxy-butanoyl)-5-nitro-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]butyric acid methyl ester Formula: C16H24N4O8 MolecularWeight: 400.38376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O8/c1-27-14(23)5-3-12(21)18-8-16(20(25)26)7-17(10-18)11-19(9-16)13(22)4-6-15(24)28-2/h3-11H2,1-2H3