(1-cyanoindolizin-2-yl)methyl 2-(2-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-(2-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-(o-tolyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2-methylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(o-tolyl)isoindoline-5-carboxylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C26H17N3O4 MolecularWeight: 435.43088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=CN5C=CC=CC5=C4C#N

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=CN5C=CC=CC5=C4C#N

InChI

InChI=1S/C26H17N3O4/c1-16-6-2-3-7-22(16)29-24(30)19-10-9-17(12-20(19)25(29)31)26(32)33-15-18-14-28-11-5-4-8-23(28)21(18)13-27/h2-12,14H,15H2,1H3