N-[4-(cyanomethoxy)phenyl]-2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-[4-(cyanomethoxy)phenyl]-2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-[4-(cyanomethoxy)phenyl]-2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[4-(cyanomethoxy)phenyl]-2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-[4-(cyanomethoxy)phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-[4-(cyanomethoxy)phenyl]-1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxamide Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)OCC#N

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)OCC#N

InChI

InChI=1S/C21H19N3O5/c1-28-11-2-10-24-20(26)17-8-3-14(13-18(17)21(24)27)19(25)23-15-4-6-16(7-5-15)29-12-9-22/h3-8,13H,2,10-12H2,1H3,(H,23,25)