2,3-bis(oxidanyl)propyl 12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoate

Systemtic Name: 2,3-bis(oxidanyl)propyl 12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoate Openeye Name: 2,3-dihydroxypropyl 12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoate CAS Name: 12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid 2,3-dihydroxypropyl ester IUPAC Name: 2,3-dihydroxypropyl 12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoate Traditional Name: 12-[(7-nitrobenzofurazan-4-yl)amino]lauric acid glyceryl ester Formula: C21H32N4O7 MolecularWeight: 452.50138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O7/c26-14-16(27)15-31-19(28)10-8-6-4-2-1-3-5-7-9-13-22-17-11-12-18(25(29)30)21-20(17)23-32-24-21/h11-12,16,22,26-27H,1-10,13-15H2