tert-butyl 2-(1-cyanocyclohexa-2,5-dien-1-yl)ethanoate

Systemtic Name: tert-butyl 2-(1-cyanocyclohexa-2,5-dien-1-yl)ethanoate Openeye Name: tert-butyl 2-(1-cyanocyclohexa-2,5-dien-1-yl)acetate CAS Name: 2-(1-cyano-1-cyclohexa-2,5-dienyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1-cyanocyclohexa-2,5-dien-1-yl)acetate Traditional Name: 2-(1-cyanocyclohexa-2,5-dien-1-yl)acetic acid tert-butyl ester Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1(C=CCC=C1)C#N

Isomeric SMILES

CC(C)(C)OC(=O)CC1(C=CCC=C1)C#N

InChI

InChI=1S/C13H17NO2/c1-12(2,3)16-11(15)9-13(10-14)7-5-4-6-8-13/h5-8H,4,9H2,1-3H3