ethyl 1-(2-nitro-3-phenyl-1-benzofuran-5-yl)piperidine-4-carboxylate hydrobromide

Systemtic Name: ethyl 1-(2-nitro-3-phenyl-1-benzofuran-5-yl)piperidine-4-carboxylate hydrobromide Openeye Name: ethyl 1-(2-nitro-3-phenyl-benzofuran-5-yl)piperidine-4-carboxylate hydrobromide CAS Name: 1-(2-nitro-3-phenyl-5-benzofuranyl)-4-piperidinecarboxylic acid ethyl ester hydrobromide IUPAC Name: ethyl 1-(2-nitro-3-phenyl-1-benzofuran-5-yl)piperidine-4-carboxylate hydrobromide Traditional Name: 1-(2-nitro-3-phenyl-benzofuran-5-yl)isonipecotic acid ethyl ester hydrobromide Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CC3=C(C=C2)OC(=C3C4=CC=CC=C4)[N+](=O)[O-].Br

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CC3=C(C=C2)OC(=C3C4=CC=CC=C4)[N+](=O)[O-].Br

InChI

InChI=1S/C22H22N2O5.BrH/c1-2-28-22(25)16-10-12-23(13-11-16)17-8-9-19-18(14-17)20(21(29-19)24(26)27)15-6-4-3-5-7-15;/h3-9,14,16H,2,10-13H2,1H3;1H