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

Systemtic Name: (3,4-dimethylphenyl) 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: (3,4-dimethylphenyl) 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid (3,4-dimethylphenyl) ester Formula: C20H17NO4 MolecularWeight: 335.35328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C)C

InChI

InChI=1S/C20H17NO4/c1-4-9-21-18(22)16-8-6-14(11-17(16)19(21)23)20(24)25-15-7-5-12(2)13(3)10-15/h4-8,10-11H,1,9H2,2-3H3