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

Systemtic Name: 5,8-dinitro-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione hydrochloride Openeye Name: 5,8-dinitro-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione hydrochloride CAS Name: 5,8-dinitro-2-[2-(1-pyrrolidinyl)ethyl]benzo[de]isoquinoline-1,3-dione hydrochloride IUPAC Name: 5,8-dinitro-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione hydrochloride Traditional Name: 5,8-dinitro-2-(2-pyrrolidinoethyl)benzo[de]isoquinoline-1,3-quinone hydrochloride Formula: C18H17ClN4O6 MolecularWeight: 420.80378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[N+](=O)[O-].Cl

Isomeric SMILES

C1CCN(C1)CCN2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[N+](=O)[O-].Cl

InChI

InChI=1S/C18H16N4O6.ClH/c23-17-14-9-12(21(25)26)7-11-8-13(22(27)28)10-15(16(11)14)18(24)20(17)6-5-19-3-1-2-4-19;/h7-10H,1-6H2;1H