(3,4-dimethoxyphenyl)methyl 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate

Systemtic Name: (3,4-dimethoxyphenyl)methyl 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: (3,4-dimethoxyphenyl)methyl 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid (3,4-dimethoxyphenyl)methyl ester IUPAC Name: (3,4-dimethoxyphenyl)methyl 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid veratryl ester Formula: C21H19NO6 MolecularWeight: 381.37866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C)OC

InChI

InChI=1S/C21H19NO6/c1-4-9-22-19(23)15-7-6-14(11-16(15)20(22)24)21(25)28-12-13-5-8-17(26-2)18(10-13)27-3/h4-8,10-11H,1,9,12H2,2-3H3