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

Systemtic Name: N7-(3-methoxypropyl)-4-nitro-N5-pyridin-2-yl-N7-(pyridin-2-ylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N7-(3-methoxypropyl)-4-nitro-N5-(2-pyridyl)-N7-(2-pyridylmethyl)-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-(3-methoxypropyl)-4-nitro-N5-(2-pyridinyl)-N7-(2-pyridinylmethyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 7-N-(3-methoxypropyl)-4-nitro-5-N-pyridin-2-yl-7-N-(pyridin-2-ylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: 3-methoxypropyl-[7-nitro-6-(2-pyridylamino)benzofurazan-4-yl]-(2-pyridylmethyl)amine Formula: C21H21N7O4 MolecularWeight: 435.43594

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC1=CC=CC=N1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=N4

Isomeric SMILES

COCCCN(CC1=CC=CC=N1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=N4

InChI

InChI=1S/C21H21N7O4/c1-31-12-6-11-27(14-15-7-2-4-9-22-15)17-13-16(24-18-8-3-5-10-23-18)21(28(29)30)20-19(17)25-32-26-20/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,23,24)