[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methanoyl-2,3-dimethoxy-benzoate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methanoyl-2,3-dimethoxy-benzoate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 6-formyl-2,3-dimethoxy-benzoate CAS Name: 6-formyl-2,3-dimethoxybenzoic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 6-formyl-2,3-dimethoxybenzoate Traditional Name: 6-formyl-2,3-dimethoxy-benzoic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)OC(=O)C2=C(C=CC(=C2OC)OC)C=O

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)OC(=O)C2=C(C=CC(=C2OC)OC)C=O

InChI

InChI=1S/C20H18N2O6/c1-12(19(24)22-15-7-4-13(10-21)5-8-15)28-20(25)17-14(11-23)6-9-16(26-2)18(17)27-3/h4-9,11-12H,1-3H3,(H,22,24)/t12-/m1/s1