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

Systemtic Name: ethyl 2-[(3S,4S)-3-cyano-2-oxidanylidene-3,4-dihydrochromen-4-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C14H13NO4 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO4/c1-2-18-13(16)7-10-9-5-3-4-6-12(9)19-14(17)11(10)8-15/h3-6,10-11H,2,7H2,1H3/t10-,11-/m1/s1