6,7-dimethoxy-1-propyl-3,4-dihydroisoquinoline; 2,4,6-trinitrophenol

Systemtic Name: 6,7-dimethoxy-1-propyl-3,4-dihydroisoquinoline; 2,4,6-trinitrophenol Openeye Name: 6,7-dimethoxy-1-propyl-3,4-dihydroisoquinoline; picric acid CAS Name: 6,7-dimethoxy-1-propyl-3,4-dihydroisoquinoline; 2,4,6-trinitrophenol IUPAC Name: 6,7-dimethoxy-1-propyl-3,4-dihydroisoquinoline; 2,4,6-trinitrophenol Traditional Name: 6,7-dimethoxy-1-propyl-3,4-dihydroisoquinoline; picric acid Formula: C20H22N4O9 MolecularWeight: 462.41008

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NCCC2=CC(=C(C=C21)OC)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC1=NCCC2=CC(=C(C=C21)OC)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H19NO2.C6H3N3O7/c1-4-5-12-11-9-14(17-3)13(16-2)8-10(11)6-7-15-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h8-9H,4-7H2,1-3H3;1-2,10H