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

Systemtic Name: N-(1-cyanocyclopentyl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]acetamide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C21H21N3O5/c1-28-17-7-4-15(5-8-17)18-12-16(24(26)27)6-9-19(18)29-13-20(25)23-21(14-22)10-2-3-11-21/h4-9,12H,2-3,10-11,13H2,1H3,(H,23,25)