2-(2,3-dimethylphenyl)-5-nitro-6-pyrrolidin-1-yl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(2,3-dimethylphenyl)-5-nitro-6-pyrrolidin-1-yl-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(2,3-dimethylphenyl)-5-nitro-6-pyrrolidin-1-yl-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(2,3-dimethylphenyl)-5-nitro-6-(1-pyrrolidinyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(2,3-dimethylphenyl)-5-nitro-6-pyrrolidin-1-ylbenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(2,3-dimethylphenyl)-5-nitro-6-pyrrolidino-benzo[de]isoquinoline-1,3-quinone Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4N5CCCC5)[N+](=O)[O-])C2=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4N5CCCC5)[N+](=O)[O-])C2=O)C

InChI

InChI=1S/C24H21N3O4/c1-14-7-5-10-19(15(14)2)26-23(28)17-9-6-8-16-21(17)18(24(26)29)13-20(27(30)31)22(16)25-11-3-4-12-25/h5-10,13H,3-4,11-12H2,1-2H3