N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide Openeye Name: 2-allyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]phenyl]-1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide Traditional Name: 2-allyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1,3-diketo-isoindoline-5-carboxamide Formula: C26H19N3O6 MolecularWeight: 469.44556

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H19N3O6/c1-2-11-29-25(32)17-9-7-15(12-19(17)26(29)33)23(30)28-20-6-4-3-5-18(20)24(31)27-16-8-10-21-22(13-16)35-14-34-21/h2-10,12-13H,1,11,14H2,(H,27,31)(H,28,30)