1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline; 2,4,6-trinitrophenol

Systemtic Name: 1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline; 2,4,6-trinitrophenol Openeye Name: 1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline; picric acid CAS Name: 1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline; 2,4,6-trinitrophenol IUPAC Name: 1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline; 2,4,6-trinitrophenol Traditional Name: 1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline; picric acid Formula: C19H22N4O9 MolecularWeight: 450.39938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC(=C(C=C2CCN1)OC)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1C2=CC(=C(C=C2CCN1)OC)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H19NO2.C6H3N3O7/c1-4-11-10-8-13(16-3)12(15-2)7-9(10)5-6-14-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7-8,11,14H,4-6H2,1-3H3;1-2,10H