N-(1-cyanocyclohexyl)-N-methyl-2-(4-nitro-2-thiophen-2-yl-phenoxy)ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-(4-nitro-2-thiophen-2-yl-phenoxy)ethanamide Openeye Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-nitro-2-(2-thienyl)phenoxy]acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-(4-nitro-2-thiophen-2-ylphenoxy)acetamide IUPAC Name: N-(1-cyanocyclohexyl)-N-methyl-2-(4-nitro-2-thiophen-2-ylphenoxy)acetamide Traditional Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-nitro-2-(2-thienyl)phenoxy]acetamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=CS2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=CS2)C3(CCCCC3)C#N

InChI

InChI=1S/C20H21N3O4S/c1-22(20(14-21)9-3-2-4-10-20)19(24)13-27-17-8-7-15(23(25)26)12-16(17)18-6-5-11-28-18/h5-8,11-12H,2-4,9-10,13H2,1H3