5-nitro-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 5-nitro-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 5-nitro-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzo[de]isoquinoline-1,3-dione CAS Name: 5-nitro-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 5-nitro-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 5-nitro-2-[4-(2-pyrrolidinoethoxy)phenyl]benzo[de]isoquinoline-1,3-quinone Formula: C24H21N3O5 MolecularWeight: 431.44064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)N3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)N3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O5/c28-23-20-5-3-4-16-14-18(27(30)31)15-21(22(16)20)24(29)26(23)17-6-8-19(9-7-17)32-13-12-25-10-1-2-11-25/h3-9,14-15H,1-2,10-13H2