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

Systemtic Name: 5,8-dinitro-2-(2-pyrrolidin-1-ylpropyl)benzo[de]isoquinoline-1,3-dione Openeye Name: 5,8-dinitro-2-(2-pyrrolidin-1-ylpropyl)benzo[de]isoquinoline-1,3-dione CAS Name: 5,8-dinitro-2-[2-(1-pyrrolidinyl)propyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 5,8-dinitro-2-(2-pyrrolidin-1-ylpropyl)benzo[de]isoquinoline-1,3-dione Traditional Name: 5,8-dinitro-2-(2-pyrrolidinopropyl)benzo[de]isoquinoline-1,3-quinone Formula: C19H18N4O6 MolecularWeight: 398.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=CC(=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-])[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CC(CN1C(=O)C2=CC(=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-])[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C19H18N4O6/c1-11(20-4-2-3-5-20)10-21-18(24)15-8-13(22(26)27)6-12-7-14(23(28)29)9-16(17(12)15)19(21)25/h6-9,11H,2-5,10H2,1H3