methyl 3-(2-cyano-1-methoxy-1-oxidanylidene-propan-2-yl)benzoate

Systemtic Name: methyl 3-(2-cyano-1-methoxy-1-oxidanylidene-propan-2-yl)benzoate Openeye Name: methyl 3-(1-cyano-2-methoxy-1-methyl-2-oxo-ethyl)benzoate CAS Name: 3-(2-cyano-1-methoxy-1-oxopropan-2-yl)benzoic acid methyl ester IUPAC Name: methyl 3-(2-cyano-1-methoxy-1-oxopropan-2-yl)benzoate Traditional Name: 3-(1-cyano-2-keto-2-methoxy-1-methyl-ethyl)benzoic acid methyl ester Formula: C13H13NO4 MolecularWeight: 247.24662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO4/c1-13(8-14,12(16)18-3)10-6-4-5-9(7-10)11(15)17-2/h4-7H,1-3H3