[(1R)-1-cyanoethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [(1R)-1-cyanoethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [(1R)-1-cyanoethyl] ester Formula: C13H12ClNO3 MolecularWeight: 265.69228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1CC2=C(C=CC(=C2)Cl)OC1

Isomeric SMILES

C[C@H](C#N)OC(=O)[C@H]1CC2=C(C=CC(=C2)Cl)OC1

InChI

InChI=1S/C13H12ClNO3/c1-8(6-15)18-13(16)10-4-9-5-11(14)2-3-12(9)17-7-10/h2-3,5,8,10H,4,7H2,1H3/t8-,10+/m1/s1