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

Systemtic Name: N7-(3-morpholin-4-ylpropyl)-4-nitro-N5-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N7-(3-morpholinopropyl)-4-nitro-N5-(2-pyridyl)-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-[3-(4-morpholinyl)propyl]-4-nitro-N5-(2-pyridinyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 7-N-(3-morpholin-4-ylpropyl)-4-nitro-5-N-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: 3-morpholinopropyl-[7-nitro-6-(2-pyridylamino)benzofurazan-4-yl]amine Formula: C18H21N7O4 MolecularWeight: 399.40384

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=N4

Isomeric SMILES

C1COCCN1CCCNC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=N4

InChI

InChI=1S/C18H21N7O4/c26-25(27)18-14(21-15-4-1-2-5-20-15)12-13(16-17(18)23-29-22-16)19-6-3-7-24-8-10-28-11-9-24/h1-2,4-5,12,19H,3,6-11H2,(H,20,21)