[2,2-dicyano-1-(3-ethanoylpyrazin-2-yl)ethenyl] ethanoate; ethanoic acid

Systemtic Name: [2,2-dicyano-1-(3-ethanoylpyrazin-2-yl)ethenyl] ethanoate; ethanoic acid Openeye Name: acetic acid; [1-(3-acetylpyrazin-2-yl)-2,2-dicyano-vinyl] acetate CAS Name: acetic acid; acetic acid [1-(3-acetyl-2-pyrazinyl)-2,2-dicyanoethenyl] ester IUPAC Name: acetic acid; [1-(3-acetylpyrazin-2-yl)-2,2-dicyanoethenyl] acetate Traditional Name: acetic acid; acetic acid [1-(3-acetylpyrazin-2-yl)-2,2-dicyano-vinyl] ester Formula: C14H12N4O5 MolecularWeight: 316.26888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC=CN=C1C(=C(C#N)C#N)OC(=O)C.CC(=O)O

Isomeric SMILES

CC(=O)C1=NC=CN=C1C(=C(C#N)C#N)OC(=O)C.CC(=O)O

InChI

InChI=1S/C12H8N4O3.C2H4O2/c1-7(17)10-11(16-4-3-15-10)12(19-8(2)18)9(5-13)6-14;1-2(3)4/h3-4H,1-2H3;1H3,(H,3,4)