(E)-N-[1,3-bis(oxidanylidene)-2-phenyl-isoindol-5-yl]-3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enamide

Systemtic Name: (E)-N-[1,3-bis(oxidanylidene)-2-phenyl-isoindol-5-yl]-3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-ethoxy-phenyl)-N-(1,3-dioxo-2-phenyl-isoindolin-5-yl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-ethoxyphenyl)-N-(1,3-dioxo-2-phenyl-5-isoindolyl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-ethoxyphenyl)-N-(1,3-dioxo-2-phenylisoindol-5-yl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-ethoxy-phenyl)-N-(1,3-diketo-2-phenyl-isoindolin-5-yl)acrylamide Formula: C25H19BrN2O4 MolecularWeight: 491.33336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)/C=C/C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C25H19BrN2O4/c1-2-32-22-12-9-17(26)14-16(22)8-13-23(29)27-18-10-11-20-21(15-18)25(31)28(24(20)30)19-6-4-3-5-7-19/h3-15H,2H2,1H3,(H,27,29)/b13-8+