(3Z)-3-(chloranylmethylidene)-6,7-dimethoxy-2-(2-phenylmethoxyethyl)isoindol-1-one

Systemtic Name: (3Z)-3-(chloranylmethylidene)-6,7-dimethoxy-2-(2-phenylmethoxyethyl)isoindol-1-one Openeye Name: (3Z)-2-(2-benzyloxyethyl)-3-(chloromethylene)-6,7-dimethoxy-isoindolin-1-one CAS Name: (3Z)-3-(chloromethylidene)-6,7-dimethoxy-2-(2-phenylmethoxyethyl)-1-isoindolone IUPAC Name: (3Z)-3-(chloromethylidene)-6,7-dimethoxy-2-(2-phenylmethoxyethyl)isoindol-1-one Traditional Name: (3Z)-2-(2-benzoxyethyl)-3-(chloromethylene)-6,7-dimethoxy-isoindolin-1-one Formula: C20H20ClNO4 MolecularWeight: 373.8301

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=CCl)N(C2=O)CCOCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)/C(=C/Cl)/N(C2=O)CCOCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H20ClNO4/c1-24-17-9-8-15-16(12-21)22(20(23)18(15)19(17)25-2)10-11-26-13-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3/b16-12-