[(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-ethanoylphenoxy)ethanoate

Systemtic Name: [(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-ethanoylphenoxy)ethanoate Openeye Name: [(1R)-2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 2-(4-acetylphenoxy)acetate CAS Name: 2-(4-acetylphenoxy)acetic acid [(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate Traditional Name: 2-(4-acetylphenoxy)acetic acid [(1R)-2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)COC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)COC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C20H17ClN2O5/c1-12(24)14-4-7-17(8-5-14)27-11-19(25)28-13(2)20(26)23-16-6-3-15(10-22)18(21)9-16/h3-9,13H,11H2,1-2H3,(H,23,26)/t13-/m1/s1