4-ethyl-5-nitro-isoindole-1,3-dione hydrochloride

Systemtic Name: 4-ethyl-5-nitro-isoindole-1,3-dione hydrochloride Openeye Name: 4-ethyl-5-nitro-isoindoline-1,3-dione hydrochloride CAS Name: 4-ethyl-5-nitroisoindole-1,3-dione hydrochloride IUPAC Name: 4-ethyl-5-nitroisoindole-1,3-dione hydrochloride Traditional Name: 4-ethyl-5-nitro-isoindoline-1,3-quinone hydrochloride Formula: C10H9ClN2O4 MolecularWeight: 256.64246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1C(=O)NC2=O)[N+](=O)[O-].Cl

Isomeric SMILES

CCC1=C(C=CC2=C1C(=O)NC2=O)[N+](=O)[O-].Cl

InChI

InChI=1S/C10H8N2O4.ClH/c1-2-5-7(12(15)16)4-3-6-8(5)10(14)11-9(6)13;/h3-4H,2H2,1H3,(H,11,13,14);1H