(2S)-2-(3-chloranylquinoxalin-2-yl)-2-(4-methoxyphenyl)ethanenitrile

Systemtic Name: (2S)-2-(3-chloranylquinoxalin-2-yl)-2-(4-methoxyphenyl)ethanenitrile Openeye Name: (2S)-2-(3-chloroquinoxalin-2-yl)-2-(4-methoxyphenyl)acetonitrile CAS Name: (2S)-2-(3-chloro-2-quinoxalinyl)-2-(4-methoxyphenyl)acetonitrile IUPAC Name: (2S)-2-(3-chloroquinoxalin-2-yl)-2-(4-methoxyphenyl)acetonitrile Traditional Name: (2S)-2-(3-chloroquinoxalin-2-yl)-2-(4-methoxyphenyl)acetonitrile Formula: C17H12ClN3O MolecularWeight: 309.74968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C#N)C2=NC3=CC=CC=C3N=C2Cl

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](C#N)C2=NC3=CC=CC=C3N=C2Cl

InChI

InChI=1S/C17H12ClN3O/c1-22-12-8-6-11(7-9-12)13(10-19)16-17(18)21-15-5-3-2-4-14(15)20-16/h2-9,13H,1H3/t13-/m0/s1