methyl 3,6-bis(3-azanylpropylamino)-2-nitro-hexanoate

Systemtic Name: methyl 3,6-bis(3-azanylpropylamino)-2-nitro-hexanoate Openeye Name: methyl 3,6-bis(3-aminopropylamino)-2-nitro-hexanoate CAS Name: 3,6-bis(3-aminopropylamino)-2-nitrohexanoic acid methyl ester IUPAC Name: methyl 3,6-bis(3-aminopropylamino)-2-nitrohexanoate Traditional Name: 3,6-bis(3-aminopropylamino)-2-nitro-hexanoic acid methyl ester Formula: C13H29N5O4 MolecularWeight: 319.40046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H29N5O4/c1-22-13(19)12(18(20)21)11(17-10-4-7-15)5-2-8-16-9-3-6-14/h11-12,16-17H,2-10,14-15H2,1H3