N7-[(2,3-dimethoxyphenyl)methyl]-N5,N5-dimethyl-4-nitro-N7-prop-2-enyl-2,1,3-benzoxadiazole-5,7-diamine

Systemtic Name: N7-[(2,3-dimethoxyphenyl)methyl]-N5,N5-dimethyl-4-nitro-N7-prop-2-enyl-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N7-allyl-N7-[(2,3-dimethoxyphenyl)methyl]-N5,N5-dimethyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-[(2,3-dimethoxyphenyl)methyl]-N5,N5-dimethyl-4-nitro-N7-prop-2-enyl-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 7-N-[(2,3-dimethoxyphenyl)methyl]-5-N,5-N-dimethyl-4-nitro-7-N-prop-2-enyl-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: allyl-[6-(dimethylamino)-7-nitro-benzofurazan-4-yl]-o-veratryl-amine Formula: C20H23N5O5 MolecularWeight: 413.42712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C2=NON=C2C(=C1)N(CC=C)CC3=C(C(=CC=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C2=NON=C2C(=C1)N(CC=C)CC3=C(C(=CC=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O5/c1-6-10-24(12-13-8-7-9-16(28-4)20(13)29-5)14-11-15(23(2)3)19(25(26)27)18-17(14)21-30-22-18/h6-9,11H,1,10,12H2,2-5H3