heptyl 2-(3-chloranylquinoxalin-2-yl)-2-cyano-ethanoate

Systemtic Name: heptyl 2-(3-chloranylquinoxalin-2-yl)-2-cyano-ethanoate Openeye Name: heptyl 2-(3-chloroquinoxalin-2-yl)-2-cyano-acetate CAS Name: 2-(3-chloro-2-quinoxalinyl)-2-cyanoacetic acid heptyl ester IUPAC Name: heptyl 2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate Traditional Name: 2-(3-chloroquinoxalin-2-yl)-2-cyano-acetic acid heptyl ester Formula: C18H20ClN3O2 MolecularWeight: 345.8233

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O2/c1-2-3-4-5-8-11-24-18(23)13(12-20)16-17(19)22-15-10-7-6-9-14(15)21-16/h6-7,9-10,13H,2-5,8,11H2,1H3