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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-N-[2-(3-nitrophenyl)-3H-isoindol-1-ylidene]prop-2-enamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-N-[2-(3-nitrophenyl)isoindolin-1-ylidene]prop-2-enamide CAS Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-N-[2-(3-nitrophenyl)-3H-isoindol-1-ylidene]-2-propenamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-N-[2-(3-nitrophenyl)-3H-isoindol-1-ylidene]prop-2-enamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-N-[2-(3-nitrophenyl)isoindolin-1-ylidene]acrylamide Formula: C25H16N4O5 MolecularWeight: 452.41834

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=NC(=O)C(=CC3=CC4=C(C=C3)OCO4)C#N)N1C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2C(=NC(=O)C(=CC3=CC4=C(C=C3)OCO4)C#N)N1C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H16N4O5/c26-13-18(10-16-8-9-22-23(11-16)34-15-33-22)25(30)27-24-21-7-2-1-4-17(21)14-28(24)19-5-3-6-20(12-19)29(31)32/h1-12H,14-15H2