(E)-2-[2-[(4-bromophenyl)methyl]-3-oxidanylidene-1H-isoindol-1-yl]-3-ethoxy-3-oxidanyl-prop-2-enenitrile

Systemtic Name: (E)-2-[2-[(4-bromophenyl)methyl]-3-oxidanylidene-1H-isoindol-1-yl]-3-ethoxy-3-oxidanyl-prop-2-enenitrile Openeye Name: (E)-2-[2-[(4-bromophenyl)methyl]-3-oxo-isoindolin-1-yl]-3-ethoxy-3-hydroxy-prop-2-enenitrile CAS Name: (E)-2-[2-[(4-bromophenyl)methyl]-3-oxo-1H-isoindol-1-yl]-3-ethoxy-3-hydroxy-2-propenenitrile IUPAC Name: (E)-2-[2-[(4-bromophenyl)methyl]-3-oxo-1H-isoindol-1-yl]-3-ethoxy-3-hydroxyprop-2-enenitrile Traditional Name: (E)-2-[2-(4-bromobenzyl)-3-keto-isoindolin-1-yl]-3-ethoxy-3-hydroxy-acrylonitrile Formula: C20H17BrN2O3 MolecularWeight: 413.26458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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