tert-butyl 2-[(E)-4-oxidanylidenebut-2-enyl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[(E)-4-oxidanylidenebut-2-enyl]pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[(E)-4-oxobut-2-enyl]pyrrole-1-carboxylate CAS Name: 2-[(E)-4-oxobut-2-enyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(E)-4-oxobut-2-enyl]pyrrole-1-carboxylate Traditional Name: 2-[(E)-4-ketobut-2-enyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC=C1CC=CC=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC=C1C/C=C/C=O

InChI

InChI=1S/C13H17NO3/c1-13(2,3)17-12(16)14-9-6-8-11(14)7-4-5-10-15/h4-6,8-10H,7H2,1-3H3/b5-4+