cyanomethyl 2-(2,5-dimethylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: cyanomethyl 2-(2,5-dimethylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: cyanomethyl 2-(2,5-dimethylphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2,5-dimethylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(2,5-dimethylphenyl)-1,3-diketo-isoindoline-5-carboxylic acid cyanomethyl ester Formula: C19H14N2O4 MolecularWeight: 334.32546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC#N

InChI

InChI=1S/C19H14N2O4/c1-11-3-4-12(2)16(9-11)21-17(22)14-6-5-13(10-15(14)18(21)23)19(24)25-8-7-20/h3-6,9-10H,8H2,1-2H3