(E)-2-[2-[(3-bromophenyl)methyl]-3-oxidanylidene-1H-isoindol-1-yl]-3-ethoxy-3-oxidanyl-prop-2-enenitrile

Systemtic Name: (E)-2-[2-[(3-bromophenyl)methyl]-3-oxidanylidene-1H-isoindol-1-yl]-3-ethoxy-3-oxidanyl-prop-2-enenitrile Openeye Name: (E)-2-[2-[(3-bromophenyl)methyl]-3-oxo-isoindolin-1-yl]-3-ethoxy-3-hydroxy-prop-2-enenitrile CAS Name: (E)-2-[2-[(3-bromophenyl)methyl]-3-oxo-1H-isoindol-1-yl]-3-ethoxy-3-hydroxy-2-propenenitrile IUPAC Name: (E)-2-[2-[(3-bromophenyl)methyl]-3-oxo-1H-isoindol-1-yl]-3-ethoxy-3-hydroxyprop-2-enenitrile Traditional Name: (E)-2-[2-(3-bromobenzyl)-3-keto-isoindolin-1-yl]-3-ethoxy-3-hydroxy-acrylonitrile Formula: C20H17BrN2O3 MolecularWeight: 413.26458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)C1C2=CC=CC=C2C(=O)N1CC3=CC(=CC=C3)Br)O

Isomeric SMILES

CCO/C(=C(/C#N)\C1C2=CC=CC=C2C(=O)N1CC3=CC(=CC=C3)Br)/O

InChI

InChI=1S/C20H17BrN2O3/c1-2-26-20(25)17(11-22)18-15-8-3-4-9-16(15)19(24)23(18)12-13-6-5-7-14(21)10-13/h3-10,18,25H,2,12H2,1H3/b20-17-