N7-(2-dimethylaminoethyl)-4-nitro-N5-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine

Systemtic Name: N7-(2-dimethylaminoethyl)-4-nitro-N5-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N7-(2-dimethylaminoethyl)-4-nitro-N5-(2-pyridyl)-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-(2-dimethylaminoethyl)-4-nitro-N5-(2-pyridinyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 7-N-(2-dimethylaminoethyl)-4-nitro-5-N-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: dimethyl-[2-[[7-nitro-6-(2-pyridylamino)benzofurazan-4-yl]amino]ethyl]amine Formula: C15H17N7O3 MolecularWeight: 343.34058

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=CC=CC=N3

Isomeric SMILES

CN(C)CCNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=CC=CC=N3

InChI

InChI=1S/C15H17N7O3/c1-21(2)8-7-16-10-9-11(18-12-5-3-4-6-17-12)15(22(23)24)14-13(10)19-25-20-14/h3-6,9,16H,7-8H2,1-2H3,(H,17,18)