5-propyl-[1,3]dioxolo[4,5-g]isoquinoline; 2,4,6-trinitrophenol

Systemtic Name: 5-propyl-[1,3]dioxolo[4,5-g]isoquinoline; 2,4,6-trinitrophenol Openeye Name: picric acid; 5-propyl-[1,3]dioxolo[4,5-g]isoquinoline CAS Name: 5-propyl-[1,3]dioxolo[4,5-g]isoquinoline; 2,4,6-trinitrophenol IUPAC Name: 5-propyl-[1,3]dioxolo[4,5-g]isoquinoline; 2,4,6-trinitrophenol Traditional Name: picric acid; 5-propyl-[1,3]dioxol[4,5-g]isoquinoline Formula: C19H16N4O9 MolecularWeight: 444.35174

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=CC2=CC3=C(C=C21)OCO3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC=CC2=CC3=C(C=C21)OCO3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13NO2.C6H3N3O7/c1-2-3-11-10-7-13-12(15-8-16-13)6-9(10)4-5-14-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-7H,2-3,8H2,1H3;1-2,10H