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

Systemtic Name: N7-(1-adamantyl)-4-nitro-N5-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N7-(1-adamantyl)-4-nitro-N5-(2-pyridyl)-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-(1-adamantyl)-4-nitro-N5-(2-pyridinyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 7-N-(1-adamantyl)-4-nitro-5-N-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: 1-adamantyl-[7-nitro-6-(2-pyridylamino)benzofurazan-4-yl]amine Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=CC(=C(C5=NON=C45)[N+](=O)[O-])NC6=CC=CC=N6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=CC(=C(C5=NON=C45)[N+](=O)[O-])NC6=CC=CC=N6

InChI

InChI=1S/C21H22N6O3/c28-27(29)20-16(23-17-3-1-2-4-22-17)8-15(18-19(20)26-30-25-18)24-21-9-12-5-13(10-21)7-14(6-12)11-21/h1-4,8,12-14,24H,5-7,9-11H2,(H,22,23)