methyl 3-[2,3-bis(chloranyl)-5,6-dicyano-4-oxidanyl-phenoxy]-2,2-dimethyl-3-phenyl-propanoate

Systemtic Name: methyl 3-[2,3-bis(chloranyl)-5,6-dicyano-4-oxidanyl-phenoxy]-2,2-dimethyl-3-phenyl-propanoate Openeye Name: methyl 3-(2,3-dichloro-5,6-dicyano-4-hydroxy-phenoxy)-2,2-dimethyl-3-phenyl-propanoate CAS Name: 3-(2,3-dichloro-5,6-dicyano-4-hydroxyphenoxy)-2,2-dimethyl-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-(2,3-dichloro-5,6-dicyano-4-hydroxyphenoxy)-2,2-dimethyl-3-phenylpropanoate Traditional Name: 3-(2,3-dichloro-5,6-dicyano-4-hydroxy-phenoxy)-2,2-dimethyl-3-phenyl-propionic acid methyl ester Formula: C20H16Cl2N2O4 MolecularWeight: 419.25804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1=CC=CC=C1)OC2=C(C(=C(C(=C2C#N)C#N)O)Cl)Cl)C(=O)OC

Isomeric SMILES

CC(C)(C(C1=CC=CC=C1)OC2=C(C(=C(C(=C2C#N)C#N)O)Cl)Cl)C(=O)OC

InChI

InChI=1S/C20H16Cl2N2O4/c1-20(2,19(26)27-3)18(11-7-5-4-6-8-11)28-17-13(10-24)12(9-23)16(25)14(21)15(17)22/h4-8,18,25H,1-3H3