(E)-2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-3-oxidanylidene-1H-isoindol-1-yl]-3-ethoxy-3-oxidanyl-prop-2-enenitrile

Systemtic Name: (E)-2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-3-oxidanylidene-1H-isoindol-1-yl]-3-ethoxy-3-oxidanyl-prop-2-enenitrile Openeye Name: (E)-2-[2-[(4-bromo-2-fluoro-phenyl)methyl]-6-chloro-3-oxo-isoindolin-1-yl]-3-ethoxy-3-hydroxy-prop-2-enenitrile CAS Name: (E)-2-[2-[(4-bromo-2-fluorophenyl)methyl]-6-chloro-3-oxo-1H-isoindol-1-yl]-3-ethoxy-3-hydroxy-2-propenenitrile IUPAC Name: (E)-2-[2-[(4-bromo-2-fluorophenyl)methyl]-6-chloro-3-oxo-1H-isoindol-1-yl]-3-ethoxy-3-hydroxyprop-2-enenitrile Traditional Name: (E)-2-[2-(4-bromo-2-fluoro-benzyl)-6-chloro-3-keto-isoindolin-1-yl]-3-ethoxy-3-hydroxy-acrylonitrile Formula: C20H15BrClFN2O3 MolecularWeight: 465.700103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)C1C2=C(C=CC(=C2)Cl)C(=O)N1CC3=C(C=C(C=C3)Br)F)O

Isomeric SMILES

CCO/C(=C(/C#N)\C1C2=C(C=CC(=C2)Cl)C(=O)N1CC3=C(C=C(C=C3)Br)F)/O

InChI

InChI=1S/C20H15BrClFN2O3/c1-2-28-20(27)16(9-24)18-15-8-13(22)5-6-14(15)19(26)25(18)10-11-3-4-12(21)7-17(11)23/h3-8,18,27H,2,10H2,1H3/b20-16-