N7-[3-(dimethylamino)propyl]-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine

Systemtic Name: N7-[3-(dimethylamino)propyl]-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N5-benzyl-N7-[3-(dimethylamino)propyl]-4-nitro-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-[3-(dimethylamino)propyl]-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 5-N-benzyl-7-N-[3-(dimethylamino)propyl]-4-nitro-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: 3-[[6-(benzylamino)-7-nitro-benzofurazan-4-yl]amino]propyl-dimethyl-amine Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CN(C)CCCNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C18H22N6O3/c1-23(2)10-6-9-19-14-11-15(20-12-13-7-4-3-5-8-13)18(24(25)26)17-16(14)21-27-22-17/h3-5,7-8,11,19-20H,6,9-10,12H2,1-2H3