3-azanidylpropyl-[6-(3-azanylpropylamino)-1-methoxy-2-nitro-1-oxidanylidene-hexan-3-yl]azanide

Systemtic Name: 3-azanidylpropyl-[6-(3-azanylpropylamino)-1-methoxy-2-nitro-1-oxidanylidene-hexan-3-yl]azanide Openeye Name: [4-(3-aminopropylamino)-1-(2-methoxy-1-nitro-2-oxo-ethyl)butyl]-(3-azanidylpropyl)azanide CAS Name: [6-(3-aminopropylamino)-1-methoxy-2-nitro-1-oxohexan-3-yl]-(3-azanidylpropyl)azanide IUPAC Name: [6-(3-aminopropylamino)-1-methoxy-2-nitro-1-oxohexan-3-yl]-(3-azanidylpropyl)azanide Traditional Name: 3-amidylpropyl-[4-(3-aminopropylamino)-1-(2-keto-2-methoxy-1-nitro-ethyl)butyl]azanide Formula: C13H27N5O4-2 MolecularWeight: 317.38458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(CCCNCCCN)[N-]CCC[NH-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(C(CCCNCCCN)[N-]CCC[NH-])[N+](=O)[O-]

InChI

InChI=1S/C13H27N5O4/c1-22-13(19)12(18(20)21)11(17-10-4-7-15)5-2-8-16-9-3-6-14/h11-12,15-16H,2-10,14H2,1H3/q-2