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

Systemtic Name: N7-(3-morpholin-4-ylpropyl)-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N5-benzyl-N7-(3-morpholinopropyl)-4-nitro-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-[3-(4-morpholinyl)propyl]-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 5-N-benzyl-7-N-(3-morpholin-4-ylpropyl)-4-nitro-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: benzyl-[7-(3-morpholinopropylamino)-4-nitro-benzofurazan-5-yl]amine Formula: C20H24N6O4 MolecularWeight: 412.44236

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1CCCNC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C20H24N6O4/c27-26(28)20-17(22-14-15-5-2-1-3-6-15)13-16(18-19(20)24-30-23-18)21-7-4-8-25-9-11-29-12-10-25/h1-3,5-6,13,21-22H,4,7-12,14H2