2-butyl-N-(5-chloranyl-2,4-dimethoxy-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-butyl-N-(5-chloranyl-2,4-dimethoxy-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-(5-chloro-2,4-dimethoxy-phenyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-(5-chloro-2,4-dimethoxyphenyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-(5-chloro-2,4-dimethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-N-(5-chloro-2,4-dimethoxy-phenyl)-1,3-diketo-isoindoline-5-carboxamide Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=C(C=C3OC)OC)Cl

InChI

InChI=1S/C21H21ClN2O5/c1-4-5-8-24-20(26)13-7-6-12(9-14(13)21(24)27)19(25)23-16-10-15(22)17(28-2)11-18(16)29-3/h6-7,9-11H,4-5,8H2,1-3H3,(H,23,25)