2-[3-(dimethylamino)propyl]-5,8-dinitro-benzo[de]isoquinoline-1,3-dione hydrochloride

Systemtic Name: 2-[3-(dimethylamino)propyl]-5,8-dinitro-benzo[de]isoquinoline-1,3-dione hydrochloride Openeye Name: 2-[3-(dimethylamino)propyl]-5,8-dinitro-benzo[de]isoquinoline-1,3-dione hydrochloride CAS Name: 2-[3-(dimethylamino)propyl]-5,8-dinitrobenzo[de]isoquinoline-1,3-dione hydrochloride IUPAC Name: 2-[3-(dimethylamino)propyl]-5,8-dinitrobenzo[de]isoquinoline-1,3-dione hydrochloride Traditional Name: 2-[3-(dimethylamino)propyl]-5,8-dinitro-benzo[de]isoquinoline-1,3-quinone hydrochloride Formula: C17H17ClN4O6 MolecularWeight: 408.79308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C(=O)C2=CC(=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-])[N+](=O)[O-].Cl

Isomeric SMILES

CN(C)CCCN1C(=O)C2=CC(=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-])[N+](=O)[O-].Cl

InChI

InChI=1S/C17H16N4O6.ClH/c1-18(2)4-3-5-19-16(22)13-8-11(20(24)25)6-10-7-12(21(26)27)9-14(15(10)13)17(19)23;/h6-9H,3-5H2,1-2H3;1H