6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline; 3-methyl-2,4,6-trinitro-phenol

Systemtic Name: 6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline; 3-methyl-2,4,6-trinitro-phenol Openeye Name: 6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline; 3-methyl-2,4,6-trinitro-phenol CAS Name: 6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline; 3-methyl-2,4,6-trinitrophenol IUPAC Name: 6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline; 3-methyl-2,4,6-trinitrophenol Traditional Name: 6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline; 3-methyl-2,4,6-trinitro-phenol Formula: C20H24N4O9 MolecularWeight: 464.42596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1C)OC)OC.CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CC1C2=CC(=C(C=C2CCN1C)OC)OC.CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C13H19NO2.C7H5N3O7/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2;1-3-4(8(12)13)2-5(9(14)15)7(11)6(3)10(16)17/h7-9H,5-6H2,1-4H3;2,11H,1H3