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

Systemtic Name: 1-[1-(3,4-dichlorophenyl)but-3-enyl]-2-methyl-3-oxidanylidene-1H-isoindole-5-carboxylic acid Openeye Name: 1-[1-(3,4-dichlorophenyl)but-3-enyl]-2-methyl-3-oxo-isoindoline-5-carboxylic acid CAS Name: 1-[1-(3,4-dichlorophenyl)but-3-enyl]-2-methyl-3-oxo-1H-isoindole-5-carboxylic acid IUPAC Name: 1-[1-(3,4-dichlorophenyl)but-3-enyl]-2-methyl-3-oxo-1H-isoindole-5-carboxylic acid Traditional Name: 1-[1-(3,4-dichlorophenyl)but-3-enyl]-3-keto-2-methyl-isoindoline-5-carboxylic acid Formula: C20H17Cl2NO3 MolecularWeight: 390.25988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl2NO3/c1-3-4-13(11-6-8-16(21)17(22)10-11)18-14-7-5-12(20(25)26)9-15(14)19(24)23(18)2/h3,5-10,13,18H,1,4H2,2H3,(H,25,26)