methyl 2-[(2S,3S)-4-methoxy-3-methyl-4-oxidanylidene-butan-2-yl]pyridine-3-carboxylate

Systemtic Name: methyl 2-[(2S,3S)-4-methoxy-3-methyl-4-oxidanylidene-butan-2-yl]pyridine-3-carboxylate Openeye Name: methyl 2-[(1S,2S)-3-methoxy-1,2-dimethyl-3-oxo-propyl]pyridine-3-carboxylate CAS Name: 2-[(2S,3S)-4-methoxy-3-methyl-4-oxobutan-2-yl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2S,3S)-4-methoxy-3-methyl-4-oxobutan-2-yl]pyridine-3-carboxylate Traditional Name: 2-[(1S,2S)-3-keto-3-methoxy-1,2-dimethyl-propyl]nicotinic acid methyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC=N1)C(=O)OC)C(C)C(=O)OC

Isomeric SMILES

C[C@H](C1=C(C=CC=N1)C(=O)OC)[C@H](C)C(=O)OC

InChI

InChI=1S/C13H17NO4/c1-8(9(2)12(15)17-3)11-10(13(16)18-4)6-5-7-14-11/h5-9H,1-4H3/t8-,9-/m0/s1