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

Systemtic Name: methyl 2-[2-chloranyl-4,5-dimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-2-cyano-ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C12H10ClNO4 MolecularWeight: 267.6651

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)C(C#N)C(=O)OC)Cl)C

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C(C#N)C(=O)OC)Cl)C

InChI

InChI=1S/C12H10ClNO4/c1-5-6(2)11(16)9(13)8(10(5)15)7(4-14)12(17)18-3/h7H,1-3H3