(1S,3S)-3-ethanoyl-5,8-dimethoxy-3,4-dihydro-1H-isochromene-1-carbonitrile

Systemtic Name: (1S,3S)-3-ethanoyl-5,8-dimethoxy-3,4-dihydro-1H-isochromene-1-carbonitrile Openeye Name: (1S,3S)-3-acetyl-5,8-dimethoxy-isochromane-1-carbonitrile CAS Name: (1S,3S)-3-acetyl-5,8-dimethoxy-3,4-dihydro-1H-2-benzopyran-1-carbonitrile IUPAC Name: (1S,3S)-3-acetyl-5,8-dimethoxy-3,4-dihydro-1H-isochromene-1-carbonitrile Traditional Name: (1S,3S)-3-acetyl-5,8-dimethoxy-isochroman-1-carbonitrile Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC2=C(C=CC(=C2C(O1)C#N)OC)OC

Isomeric SMILES

CC(=O)[C@@H]1CC2=C(C=CC(=C2[C@H](O1)C#N)OC)OC

InChI

InChI=1S/C14H15NO4/c1-8(16)12-6-9-10(17-2)4-5-11(18-3)14(9)13(7-15)19-12/h4-5,12-13H,6H2,1-3H3/t12-,13+/m0/s1