4-[(3S)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]benzenecarbonitrile

Systemtic Name: 4-[(3S)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]benzenecarbonitrile Openeye Name: 4-[(3S)-1-oxoisochroman-3-yl]benzonitrile CAS Name: 4-[(3S)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]benzonitrile IUPAC Name: 4-[(3S)-1-oxo-3,4-dihydroisochromen-3-yl]benzonitrile Traditional Name: 4-[(3S)-1-ketoisochroman-3-yl]benzonitrile Formula: C16H11NO2 MolecularWeight: 249.26404

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1[C@H](OC(=O)C2=CC=CC=C21)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H11NO2/c17-10-11-5-7-12(8-6-11)15-9-13-3-1-2-4-14(13)16(18)19-15/h1-8,15H,9H2/t15-/m0/s1