[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H17ClN2O5 MolecularWeight: 388.80168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O5/c1-11(18(23)22-14-6-4-5-12(7-14)10-21)27-19(24)13-8-15(20)17(26-3)16(9-13)25-2/h4-9,11H,1-3H3,(H,22,23)/t11-/m1/s1