N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanamide

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanamide Openeye Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]acetamide CAS Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide IUPAC Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide Traditional Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]acetamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H23N3O5/c1-14(2)21(3,13-22)23-20(25)12-29-19-10-7-16(24(26)27)11-18(19)15-5-8-17(28-4)9-6-15/h5-11,14H,12H2,1-4H3,(H,23,25)/t21-/m0/s1