[(1S)-1-cyanoethyl] 4-oxidanylidenechromene-2-carboxylate

Systemtic Name: [(1S)-1-cyanoethyl] 4-oxidanylidenechromene-2-carboxylate Openeye Name: [(1S)-1-cyanoethyl] 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-carboxylic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] 4-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-carboxylic acid [(1S)-1-cyanoethyl] ester Formula: C13H9NO4 MolecularWeight: 243.21486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=O)C2=CC=CC=C2O1

Isomeric SMILES

C[C@@H](C#N)OC(=O)C1=CC(=O)C2=CC=CC=C2O1

InChI

InChI=1S/C13H9NO4/c1-8(7-14)17-13(16)12-6-10(15)9-4-2-3-5-11(9)18-12/h2-6,8H,1H3/t8-/m0/s1