4-[5-nitro-3-(4-oxidanidyl-4-oxidanylidene-butanoyl)-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[5-nitro-3-(4-oxidanidyl-4-oxidanylidene-butanoyl)-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[5-nitro-3-(4-oxido-4-oxo-butanoyl)-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl]-4-oxo-butanoate CAS Name: 4-[5-nitro-3-(4-oxido-1,4-dioxobutyl)-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl]-4-oxobutanoate IUPAC Name: 4-[5-nitro-3-(4-oxido-4-oxobutanoyl)-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[3-(4-keto-4-oxido-butanoyl)-5-nitro-3,7-diaza-1-azoniabicyclo[3.3.1]nonan-7-yl]butyrate Formula: C14H19N4O8- MolecularWeight: 371.32266

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(CN(C[NH+]1CN(C2)C(=O)CCC(=O)[O-])C(=O)CCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2(CN(C[NH+]1CN(C2)C(=O)CCC(=O)[O-])C(=O)CCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H20N4O8/c19-10(1-3-12(21)22)16-6-14(18(25)26)5-15(8-16)9-17(7-14)11(20)2-4-13(23)24/h1-9H2,(H,21,22)(H,23,24)/p-1