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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C3C4=C2C=CC=C4C(=O)N(C3=O)CCC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C3C4=C2C=CC=C4C(=O)N(C3=O)CCC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O4/c28-23-18-10-6-9-17-21(18)19(15-20(27(30)31)22(17)25-12-4-5-13-25)24(29)26(23)14-11-16-7-2-1-3-8-16/h1-3,6-10,15H,4-5,11-14H2