2-butyl-N-(6-chloranyl-1,3-benzodioxol-5-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-butyl-N-(6-chloranyl-1,3-benzodioxol-5-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-(6-chloro-1,3-benzodioxol-5-yl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-(6-chloro-1,3-benzodioxol-5-yl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-(6-chloro-1,3-benzodioxol-5-yl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-N-(6-chloro-1,3-benzodioxol-5-yl)-1,3-diketo-isoindoline-5-carboxamide Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C20H17ClN2O5/c1-2-3-6-23-19(25)12-5-4-11(7-13(12)20(23)26)18(24)22-15-9-17-16(8-14(15)21)27-10-28-17/h4-5,7-9H,2-3,6,10H2,1H3,(H,22,24)