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

Systemtic Name: 5,8-dinitro-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione chloride Openeye Name: 5,8-dinitro-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione chloride CAS Name: 5,8-dinitro-2-[2-(1-pyrrolidinyl)ethyl]benzo[de]isoquinoline-1,3-dione chloride IUPAC Name: 5,8-dinitro-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione chloride Traditional Name: 5,8-dinitro-2-(2-pyrrolidinoethyl)benzo[de]isoquinoline-1,3-quinone chloride Formula: C18H16ClN4O6- MolecularWeight: 419.79584

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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/p-1