N-hexadecyl-4-nitro-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-hexadecyl-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: N-hexadecyl-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: N-hexadecyl-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-hexadecyl-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: cetyl-(7-nitrobenzofurazan-4-yl)amine Formula: C22H36N4O3 MolecularWeight: 404.54624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-]

InChI

InChI=1S/C22H36N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-19-16-17-20(26(27)28)22-21(19)24-29-25-22/h16-17,23H,2-15,18H2,1H3