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

Systemtic Name: N7,N7-dibutyl-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N5-benzyl-N7,N7-dibutyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7,N7-dibutyl-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 5-N-benzyl-7-N,7-N-dibutyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: [6-(benzylamino)-7-nitro-benzofurazan-4-yl]-dibutyl-amine Formula: C21H27N5O3 MolecularWeight: 397.47078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CCCCN(CCCC)C1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O3/c1-3-5-12-25(13-6-4-2)18-14-17(22-15-16-10-8-7-9-11-16)21(26(27)28)20-19(18)23-29-24-20/h7-11,14,22H,3-6,12-13,15H2,1-2H3