2,3-bis(oxidanyl)propyl 2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl hydrogen phosphate

Systemtic Name: 2,3-bis(oxidanyl)propyl 2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl hydrogen phosphate Openeye Name: 2,3-dihydroxypropyl 2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl hydrogen phosphate CAS Name: 2,3-dihydroxypropyl 2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl hydrogen phosphate IUPAC Name: 2,3-dihydroxypropyl 2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl hydrogen phosphate Traditional Name: glyceryl 2-[(7-nitrobenzofurazan-4-yl)amino]ethyl hydrogen phosphate Formula: C11H15N4O9P MolecularWeight: 378.231961

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NCCOP(=O)(O)OCC(CO)O

Isomeric SMILES

C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NCCOP(=O)(O)OCC(CO)O

InChI

InChI=1S/C11H15N4O9P/c16-5-7(17)6-23-25(20,21)22-4-3-12-8-1-2-9(15(18)19)11-10(8)13-24-14-11/h1-2,7,12,16-17H,3-6H2,(H,20,21)