5,8-dimethyl-3,4-dihydroisoquinoline; 2,4,6-trinitrophenol

Systemtic Name: 5,8-dimethyl-3,4-dihydroisoquinoline; 2,4,6-trinitrophenol Openeye Name: 5,8-dimethyl-3,4-dihydroisoquinoline; picric acid CAS Name: 5,8-dimethyl-3,4-dihydroisoquinoline; 2,4,6-trinitrophenol IUPAC Name: 5,8-dimethyl-3,4-dihydroisoquinoline; 2,4,6-trinitrophenol Traditional Name: 5,8-dimethyl-3,4-dihydroisoquinoline; picric acid Formula: C17H16N4O7 MolecularWeight: 388.33154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCN=CC2=C(C=C1)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C2CCN=CC2=C(C=C1)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H13N.C6H3N3O7/c1-8-3-4-9(2)11-7-12-6-5-10(8)11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-4,7H,5-6H2,1-2H3;1-2,10H