6,7-dimethoxy-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline; 2,4,6-trinitrobenzene-1,3-diol

Systemtic Name: 6,7-dimethoxy-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline; 2,4,6-trinitrobenzene-1,3-diol Openeye Name: 1-isobutyl-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline; 2,4,6-trinitrobenzene-1,3-diol CAS Name: 6,7-dimethoxy-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline; 2,4,6-trinitrobenzene-1,3-diol IUPAC Name: 6,7-dimethoxy-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline; 2,4,6-trinitrobenzene-1,3-diol Traditional Name: 1-isobutyl-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline; 2,4,6-trinitroresorcinol Formula: C22H28N4O10 MolecularWeight: 508.47852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C2=CC(=C(C=C2CCN1C)OC)OC.C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1C2=CC(=C(C=C2CCN1C)OC)OC.C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C16H25NO2.C6H3N3O8/c1-11(2)8-14-13-10-16(19-5)15(18-4)9-12(13)6-7-17(14)3;10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h9-11,14H,6-8H2,1-5H3;1,10-11H