ethyl 2-[2-chloranyl-4,5-dimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-2-cyano-ethanoate

Systemtic Name: ethyl 2-[2-chloranyl-4,5-dimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-2-cyano-ethanoate Openeye Name: ethyl 2-(2-chloro-4,5-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-2-cyano-acetate CAS Name: 2-(2-chloro-4,5-dimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-(2-chloro-4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-2-cyanoacetate Traditional Name: 2-(2-chloro-3,6-diketo-4,5-dimethyl-cyclohexa-1,4-dien-1-yl)-2-cyano-acetic acid ethyl ester Formula: C13H12ClNO4 MolecularWeight: 281.69168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=C(C(=O)C(=C(C1=O)C)C)Cl

Isomeric SMILES

CCOC(=O)C(C#N)C1=C(C(=O)C(=C(C1=O)C)C)Cl

InChI

InChI=1S/C13H12ClNO4/c1-4-19-13(18)8(5-15)9-10(14)12(17)7(3)6(2)11(9)16/h8H,4H2,1-3H3