[3-(dimethylamino)-1-(4-nitrooxybutanoylamino)-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-(dimethylamino)-1-(4-nitrooxybutanoylamino)-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(dimethylamino)-1-(4-nitrooxybutanoylamino)-1-phosphono-propyl]phosphonic acid CAS Name: [3-(dimethylamino)-1-[(4-nitrooxy-1-oxobutyl)amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(dimethylamino)-1-(4-nitrooxybutanoylamino)-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(dimethylamino)-1-(4-nitrooxybutanoylamino)-1-phosphono-propyl]phosphonic acid Formula: C9H21N3O10P2 MolecularWeight: 393.224662

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(NC(=O)CCCO[N+](=O)[O-])(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CN(C)CCC(NC(=O)CCCO[N+](=O)[O-])(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H21N3O10P2/c1-11(2)6-5-9(23(16,17)18,24(19,20)21)10-8(13)4-3-7-22-12(14)15/h3-7H2,1-2H3,(H,10,13)(H2,16,17,18)(H2,19,20,21)