[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methoxy-2-oxidanyl-benzoate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methoxy-2-oxidanyl-benzoate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-hydroxy-5-methoxy-benzoate CAS Name: 2-hydroxy-5-methoxybenzoic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate Traditional Name: 2-hydroxy-5-methoxy-benzoic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H16N2O5 MolecularWeight: 340.33004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5/c1-11(17(22)20-13-5-3-12(10-19)4-6-13)25-18(23)15-9-14(24-2)7-8-16(15)21/h3-9,11,21H,1-2H3,(H,20,22)/t11-/m1/s1