N7-[3-(dimethylamino)propyl]-4-nitro-N5-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine

Systemtic Name: N7-[3-(dimethylamino)propyl]-4-nitro-N5-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N7-[3-(dimethylamino)propyl]-4-nitro-N5-(2-pyridyl)-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-[3-(dimethylamino)propyl]-4-nitro-N5-(2-pyridinyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 7-N-[3-(dimethylamino)propyl]-4-nitro-5-N-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: dimethyl-[3-[[7-nitro-6-(2-pyridylamino)benzofurazan-4-yl]amino]propyl]amine Formula: C16H19N7O3 MolecularWeight: 357.36716

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=CC=CC=N3

Isomeric SMILES

CN(C)CCCNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=CC=CC=N3

InChI

InChI=1S/C16H19N7O3/c1-22(2)9-5-8-17-11-10-12(19-13-6-3-4-7-18-13)16(23(24)25)15-14(11)20-26-21-15/h3-4,6-7,10,17H,5,8-9H2,1-2H3,(H,18,19)