3-(azepan-1-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione

Systemtic Name: 3-(azepan-1-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione CAS Name: 3-(1-azepanyl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-quinone Formula: C16H19N3O4 MolecularWeight: 317.33976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4/c20-15-11-14(17-9-3-1-2-4-10-17)16(21)18(15)12-5-7-13(8-6-12)19(22)23/h5-8,14H,1-4,9-11H2