N-(1-cyanocyclohexyl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]acetamide Formula: C22H23N3O5 MolecularWeight: 409.43512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C22H23N3O5/c1-29-18-8-5-16(6-9-18)19-13-17(25(27)28)7-10-20(19)30-14-21(26)24-22(15-23)11-3-2-4-12-22/h5-10,13H,2-4,11-12,14H2,1H3,(H,24,26)