[(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-2-oxidanyl-benzoate

Systemtic Name: [(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [(1R)-2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic 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-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [(1R)-2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H15ClN2O4 MolecularWeight: 358.7757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OC(C)C(=O)NC2=CC(=C(C=C2)C#N)Cl)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC(=C(C=C2)C#N)Cl)O

InChI

InChI=1S/C18H15ClN2O4/c1-10-3-6-14(16(22)7-10)18(24)25-11(2)17(23)21-13-5-4-12(9-20)15(19)8-13/h3-8,11,22H,1-2H3,(H,21,23)/t11-/m1/s1