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

Systemtic Name: (3-cyanophenyl)methyl 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: (3-cyanophenyl)methyl 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid (3-cyanobenzyl) ester Formula: C20H14N2O4 MolecularWeight: 346.33616

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H14N2O4/c1-2-8-22-18(23)16-7-6-15(10-17(16)19(22)24)20(25)26-12-14-5-3-4-13(9-14)11-21/h2-7,9-10H,1,8,12H2