[4-[[4-(nitrooxymethyl)phenyl]carbonylamino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[[4-(nitrooxymethyl)phenyl]carbonylamino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [1-hydroxy-4-[[4-(nitrooxymethyl)benzoyl]amino]-1-phosphono-butyl]phosphonic acid CAS Name: [1-hydroxy-4-[[[4-(nitrooxymethyl)phenyl]-oxomethyl]amino]-1-phosphonobutyl]phosphonic acid IUPAC Name: [1-hydroxy-4-[[4-(nitrooxymethyl)benzoyl]amino]-1-phosphonobutyl]phosphonic acid Traditional Name: [1-hydroxy-4-[[4-(nitrooxymethyl)benzoyl]amino]-1-phosphono-butyl]phosphonic acid Formula: C12H18N2O11P2 MolecularWeight: 428.225642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CO[N+](=O)[O-])C(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1CO[N+](=O)[O-])C(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H18N2O11P2/c15-11(10-4-2-9(3-5-10)8-25-14(17)18)13-7-1-6-12(16,26(19,20)21)27(22,23)24/h2-5,16H,1,6-8H2,(H,13,15)(H2,19,20,21)(H2,22,23,24)