tert-butyl 5-cyano-1,3-dihydroisoindole-2-carboxylate

Systemtic Name: tert-butyl 5-cyano-1,3-dihydroisoindole-2-carboxylate Openeye Name: tert-butyl 5-cyanoisoindoline-2-carboxylate CAS Name: 5-cyano-1,3-dihydroisoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-cyano-1,3-dihydroisoindole-2-carboxylate Traditional Name: 5-cyanoisoindoline-2-carboxylic acid tert-butyl ester Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)C#N

InChI

InChI=1S/C14H16N2O2/c1-14(2,3)18-13(17)16-8-11-5-4-10(7-15)6-12(11)9-16/h4-6H,8-9H2,1-3H3