methyl 5-[4-(5-methoxy-2,2-dinitro-5-oxidanylidene-pentyl)piperazin-1-yl]-4,4-dinitro-pentanoate

Systemtic Name: methyl 5-[4-(5-methoxy-2,2-dinitro-5-oxidanylidene-pentyl)piperazin-1-yl]-4,4-dinitro-pentanoate Openeye Name: methyl 5-[4-(5-methoxy-2,2-dinitro-5-oxo-pentyl)piperazin-1-yl]-4,4-dinitro-pentanoate CAS Name: 5-[4-(5-methoxy-2,2-dinitro-5-oxopentyl)-1-piperazinyl]-4,4-dinitropentanoic acid methyl ester IUPAC Name: methyl 5-[4-(5-methoxy-2,2-dinitro-5-oxopentyl)piperazin-1-yl]-4,4-dinitropentanoate Traditional Name: 5-[4-(5-keto-5-methoxy-2,2-dinitro-pentyl)piperazino]-4,4-dinitro-valeric acid methyl ester Formula: C16H26N6O12 MolecularWeight: 494.41064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CN1CCN(CC1)CC(CCC(=O)OC)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCC(CN1CCN(CC1)CC(CCC(=O)OC)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H26N6O12/c1-33-13(23)3-5-15(19(25)26,20(27)28)11-17-7-9-18(10-8-17)12-16(21(29)30,22(31)32)6-4-14(24)34-2/h3-12H2,1-2H3