tert-butyl (E)-3-(1H-pyrrol-3-yl)but-2-enoate

Systemtic Name: tert-butyl (E)-3-(1H-pyrrol-3-yl)but-2-enoate Openeye Name: tert-butyl (E)-3-(1H-pyrrol-3-yl)but-2-enoate CAS Name: (E)-3-(1H-pyrrol-3-yl)-2-butenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-(1H-pyrrol-3-yl)but-2-enoate Traditional Name: (E)-3-(1H-pyrrol-3-yl)but-2-enoic acid tert-butyl ester Formula: C12H17NO2 MolecularWeight: 207.26888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC(C)(C)C)C1=CNC=C1

Isomeric SMILES

C/C(=C\C(=O)OC(C)(C)C)/C1=CNC=C1

InChI

InChI=1S/C12H17NO2/c1-9(10-5-6-13-8-10)7-11(14)15-12(2,3)4/h5-8,13H,1-4H3/b9-7+