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

Systemtic Name: 12-[(7-nitro-1,2,3-benzoxadiazol-4-yl)amino]dodecanoic acid Openeye Name: 12-[(7-nitro-1,2,3-benzoxadiazol-4-yl)amino]dodecanoic acid CAS Name: 12-[(7-nitro-1,2,3-benzoxadiazol-4-yl)amino]dodecanoic acid IUPAC Name: 12-[(7-nitro-1,2,3-benzoxadiazol-4-yl)amino]dodecanoic acid Traditional Name: 12-[(7-nitro-1,2,3-benzoxadiazol-4-yl)amino]lauric acid Formula: C18H26N4O5 MolecularWeight: 378.42284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1NCCCCCCCCCCCC(=O)O)N=NO2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C2C(=C1NCCCCCCCCCCCC(=O)O)N=NO2)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O5/c23-16(24)10-8-6-4-2-1-3-5-7-9-13-19-14-11-12-15(22(25)26)18-17(14)20-21-27-18/h11-12,19H,1-10,13H2,(H,23,24)