methyl 2-[(3S,4S)-3-cyano-2-oxidanylidene-3,4-dihydrochromen-4-yl]ethanoate

Systemtic Name: methyl 2-[(3S,4S)-3-cyano-2-oxidanylidene-3,4-dihydrochromen-4-yl]ethanoate Openeye Name: methyl 2-[(3S,4S)-3-cyano-2-oxo-chroman-4-yl]acetate CAS Name: 2-[(3S,4S)-3-cyano-2-oxo-3,4-dihydro-2H-1-benzopyran-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(3S,4S)-3-cyano-2-oxo-3,4-dihydrochromen-4-yl]acetate Traditional Name: 2-[(3S,4S)-3-cyano-2-keto-chroman-4-yl]acetic acid methyl ester Formula: C13H11NO4 MolecularWeight: 245.23074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(C(=O)OC2=CC=CC=C12)C#N

Isomeric SMILES

COC(=O)C[C@H]1[C@H](C(=O)OC2=CC=CC=C12)C#N

InChI

InChI=1S/C13H11NO4/c1-17-12(15)6-9-8-4-2-3-5-11(8)18-13(16)10(9)7-14/h2-5,9-10H,6H2,1H3/t9-,10-/m1/s1