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

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

Systemtic Name:12-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]octadecanoic acid
Openeye Name:12-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]octadecanoic acid
CAS Name:12-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]octadecanoic acid
IUPAC Name:12-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]octadecanoic acid
Traditional Name:12-[methyl-(7-nitrobenzofurazan-4-yl)amino]stearic acid
Formula: C25H40N4O5
MolecularWeight: 476.6089
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)O)N(C)C1=CC=C(C2=NON=C12)[N+](=O)[O-]


Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)O)N(C)C1=CC=C(C2=NON=C12)[N+](=O)[O-]


InChI

InChI=1S/C25H40N4O5/c1-3-4-5-12-15-20(16-13-10-8-6-7-9-11-14-17-23(30)31)28(2)21-18-19-22(29(32)33)25-24(21)26-34-27-25/h18-20H,3-17H2,1-2H3,(H,30,31)


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