tert-butyl 2-(2-oxidanylideneethylamino)cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: tert-butyl 2-(2-oxidanylideneethylamino)cyclohexa-1,4-diene-1-carboxylate Openeye Name: tert-butyl 2-(2-oxoethylamino)cyclohexa-1,4-diene-1-carboxylate CAS Name: 2-(2-oxoethylamino)-1-cyclohexa-1,4-dienecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-oxoethylamino)cyclohexa-1,4-diene-1-carboxylate Traditional Name: 2-(2-ketoethylamino)cyclohexa-1,4-diene-1-carboxylic acid tert-butyl ester Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(CC=CC1)NCC=O

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(CC=CC1)NCC=O

InChI

InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)10-6-4-5-7-11(10)14-8-9-15/h4-5,9,14H,6-8H2,1-3H3