[5-acetyloxy-6,7-bis(chloranyl)-2,4-dicyano-cyclohepta-1,4,6-trien-1-yl] ethanoate

Systemtic Name: [5-acetyloxy-6,7-bis(chloranyl)-2,4-dicyano-cyclohepta-1,4,6-trien-1-yl] ethanoate Openeye Name: (5-acetoxy-6,7-dichloro-2,4-dicyano-cyclohepta-1,4,6-trien-1-yl) acetate CAS Name: acetic acid (5-acetyloxy-6,7-dichloro-2,4-dicyano-1-cyclohepta-1,4,6-trienyl) ester IUPAC Name: (5-acetyloxy-6,7-dichloro-2,4-dicyanocyclohepta-1,4,6-trien-1-yl) acetate Traditional Name: acetic acid (5-acetoxy-6,7-dichloro-2,4-dicyano-cyclohepta-1,4,6-trien-1-yl) ester Formula: C13H8Cl2N2O4 MolecularWeight: 327.11962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(CC(=C(C(=C1Cl)Cl)OC(=O)C)C#N)C#N

Isomeric SMILES

CC(=O)OC1=C(CC(=C(C(=C1Cl)Cl)OC(=O)C)C#N)C#N

InChI

InChI=1S/C13H8Cl2N2O4/c1-6(18)20-12-8(4-16)3-9(5-17)13(21-7(2)19)11(15)10(12)14/h3H2,1-2H3