3-(1,3-benzodioxol-5-yl)-2-cyano-N-[2-(3-ethanoylphenyl)-3H-isoindol-1-ylidene]prop-2-enamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-N-[2-(3-ethanoylphenyl)-3H-isoindol-1-ylidene]prop-2-enamide Openeye Name: N-[2-(3-acetylphenyl)isoindolin-1-ylidene]-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enamide CAS Name: N-[2-(3-acetylphenyl)-3H-isoindol-1-ylidene]-3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenamide IUPAC Name: N-[2-(3-acetylphenyl)-3H-isoindol-1-ylidene]-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enamide Traditional Name: N-[2-(3-acetylphenyl)isoindolin-1-ylidene]-3-(1,3-benzodioxol-5-yl)-2-cyano-acrylamide Formula: C27H19N3O4 MolecularWeight: 449.45746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N2CC3=CC=CC=C3C2=NC(=O)C(=CC4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N2CC3=CC=CC=C3C2=NC(=O)C(=CC4=CC5=C(C=C4)OCO5)C#N

InChI

InChI=1S/C27H19N3O4/c1-17(31)19-6-4-7-22(13-19)30-15-20-5-2-3-8-23(20)26(30)29-27(32)21(14-28)11-18-9-10-24-25(12-18)34-16-33-24/h2-13H,15-16H2,1H3