2-[(E)-1-cyanoprop-1-en-2-yl]-N-(2,5-dimethoxyphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-[(E)-1-cyanoprop-1-en-2-yl]-N-(2,5-dimethoxyphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-[(E)-2-cyano-1-methyl-vinyl]-N-(2,5-dimethoxyphenyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-[(E)-1-cyanoprop-1-en-2-yl]-N-(2,5-dimethoxyphenyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-[(E)-1-cyanoprop-1-en-2-yl]-N-(2,5-dimethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-[(E)-2-cyano-1-methyl-vinyl]-N-(2,5-dimethoxyphenyl)-1,3-diketo-isoindoline-5-carboxamide Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC#N)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

C/C(=C\C#N)/N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H17N3O5/c1-12(8-9-22)24-20(26)15-6-4-13(10-16(15)21(24)27)19(25)23-17-11-14(28-2)5-7-18(17)29-3/h4-8,10-11H,1-3H3,(H,23,25)/b12-8+