2-butyl-N-(2-chloranyl-4,6-dimethyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-butyl-N-(2-chloranyl-4,6-dimethyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-(2-chloro-4,6-dimethyl-phenyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-(2-chloro-4,6-dimethylphenyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-(2-chloro-4,6-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-N-(2-chloro-4,6-dimethyl-phenyl)-1,3-diketo-isoindoline-5-carboxamide Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O3/c1-4-5-8-24-20(26)15-7-6-14(11-16(15)21(24)27)19(25)23-18-13(3)9-12(2)10-17(18)22/h6-7,9-11H,4-5,8H2,1-3H3,(H,23,25)