methyl 1-[1-(3,4-dichlorophenyl)but-3-enyl]-2-methyl-3-oxidanylidene-1H-isoindole-5-carboxylate

Systemtic Name: methyl 1-[1-(3,4-dichlorophenyl)but-3-enyl]-2-methyl-3-oxidanylidene-1H-isoindole-5-carboxylate Openeye Name: methyl 1-[1-(3,4-dichlorophenyl)but-3-enyl]-2-methyl-3-oxo-isoindoline-5-carboxylate CAS Name: 1-[1-(3,4-dichlorophenyl)but-3-enyl]-2-methyl-3-oxo-1H-isoindole-5-carboxylic acid methyl ester IUPAC Name: methyl 1-[1-(3,4-dichlorophenyl)but-3-enyl]-2-methyl-3-oxo-1H-isoindole-5-carboxylate Traditional Name: 1-[1-(3,4-dichlorophenyl)but-3-enyl]-3-keto-2-methyl-isoindoline-5-carboxylic acid methyl ester Formula: C21H19Cl2NO3 MolecularWeight: 404.28646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C2=C(C1=O)C=C(C=C2)C(=O)OC)C(CC=C)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CN1C(C2=C(C1=O)C=C(C=C2)C(=O)OC)C(CC=C)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H19Cl2NO3/c1-4-5-14(12-7-9-17(22)18(23)11-12)19-15-8-6-13(21(26)27-3)10-16(15)20(25)24(19)2/h4,6-11,14,19H,1,5H2,2-3H3