[4-(4-nitrooxybutanoylamino)-1-oxidanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-(4-nitrooxybutanoylamino)-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [1-hydroxy-4-(4-nitrooxybutanoylamino)-1-phosphono-butyl]phosphonic acid CAS Name: [1-hydroxy-4-[(4-nitrooxy-1-oxobutyl)amino]-1-phosphonobutyl]phosphonic acid IUPAC Name: [1-hydroxy-4-(4-nitrooxybutanoylamino)-1-phosphonobutyl]phosphonic acid Traditional Name: [1-hydroxy-4-(4-nitrooxybutanoylamino)-1-phosphono-butyl]phosphonic acid Formula: C8H18N2O11P2 MolecularWeight: 380.182842

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O)CO[N+](=O)[O-]

Isomeric SMILES

C(CC(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O)CO[N+](=O)[O-]

InChI

InChI=1S/C8H18N2O11P2/c11-7(3-1-6-21-10(13)14)9-5-2-4-8(12,22(15,16)17)23(18,19)20/h12H,1-6H2,(H,9,11)(H2,15,16,17)(H2,18,19,20)