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

Systemtic Name: 12-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoate Openeye Name: 12-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoate CAS Name: 12-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoate IUPAC Name: 12-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoate Traditional Name: 12-[methyl-(7-nitrobenzofurazan-4-yl)amino]laurate Formula: C19H27N4O5- MolecularWeight: 391.44148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCCCCCCCC(=O)[O-])C1=CC=C(C2=NON=C12)[N+](=O)[O-]

Isomeric SMILES

CN(CCCCCCCCCCCC(=O)[O-])C1=CC=C(C2=NON=C12)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O5/c1-22(14-10-8-6-4-2-3-5-7-9-11-17(24)25)15-12-13-16(23(26)27)19-18(15)20-28-21-19/h12-13H,2-11,14H2,1H3,(H,24,25)/p-1