(3,3-dimethyl-2-oxidanylidene-butyl) 2-(3-chloranyl-2-methyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(3-chloranyl-2-methyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(3-chloro-2-methyl-phenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-chloro-2-methylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(3-chloro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(3-chloro-2-methyl-phenyl)-1,3-diketo-isoindoline-5-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C22H20ClNO5/c1-12-16(23)6-5-7-17(12)24-19(26)14-9-8-13(10-15(14)20(24)27)21(28)29-11-18(25)22(2,3)4/h5-10H,11H2,1-4H3