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

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-oxidanyl-benzoate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H16N2O4/c1-11-4-3-5-15(16(11)21)18(23)24-12(2)17(22)20-14-8-6-13(10-19)7-9-14/h3-9,12,21H,1-2H3,(H,20,22)/t12-/m1/s1