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

Systemtic Name: 5-ethyl-[1,3]dioxolo[4,5-g]isoquinoline; 2,4,6-trinitrophenol Openeye Name: 5-ethyl-[1,3]dioxolo[4,5-g]isoquinoline; picric acid CAS Name: 5-ethyl-[1,3]dioxolo[4,5-g]isoquinoline; 2,4,6-trinitrophenol IUPAC Name: 5-ethyl-[1,3]dioxolo[4,5-g]isoquinoline; 2,4,6-trinitrophenol Traditional Name: 5-ethyl-[1,3]dioxol[4,5-g]isoquinoline; picric acid Formula: C18H14N4O9 MolecularWeight: 430.32516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C12H11NO2.C6H3N3O7/c1-2-10-9-6-12-11(14-7-15-12)5-8(9)3-4-13-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6H,2,7H2,1H3;1-2,10H