5-nitro-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-3,1-benzoxazine-2,4-dione hydrobromide

Systemtic Name: 5-nitro-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-3,1-benzoxazine-2,4-dione hydrobromide Openeye Name: 5-nitro-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-3,1-benzoxazine-2,4-dione hydrobromide CAS Name: 5-nitro-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-3,1-benzoxazine-2,4-dione hydrobromide IUPAC Name: 5-nitro-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-3,1-benzoxazine-2,4-dione hydrobromide Traditional Name: 5-nitro-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-3,1-benzoxazine-2,4-quinone hydrobromide Formula: C23H24BrN3O5 MolecularWeight: 502.35776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)CCCCN3C4=C(C(=CC=C4)[N+](=O)[O-])C(=O)OC3=O.Br

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)CCCCN3C4=C(C(=CC=C4)[N+](=O)[O-])C(=O)OC3=O.Br

InChI

InChI=1S/C23H23N3O5.BrH/c27-22-21-19(9-6-10-20(21)26(29)30)25(23(28)31-22)14-5-4-13-24-15-11-18(12-16-24)17-7-2-1-3-8-17;/h1-3,6-11H,4-5,12-16H2;1H