ethyl (2S)-2-(3-chloranylquinoxalin-2-yl)-2-cyano-ethanoate

Systemtic Name: ethyl (2S)-2-(3-chloranylquinoxalin-2-yl)-2-cyano-ethanoate Openeye Name: ethyl (2S)-2-(3-chloroquinoxalin-2-yl)-2-cyano-acetate CAS Name: (2S)-2-(3-chloro-2-quinoxalinyl)-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate Traditional Name: (2S)-2-(3-chloroquinoxalin-2-yl)-2-cyano-acetic acid ethyl ester Formula: C13H10ClN3O2 MolecularWeight: 275.6904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1Cl

Isomeric SMILES

CCOC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1Cl

InChI

InChI=1S/C13H10ClN3O2/c1-2-19-13(18)8(7-15)11-12(14)17-10-6-4-3-5-9(10)16-11/h3-6,8H,2H2,1H3/t8-/m1/s1