tert-butyl (E)-4-(1-methylpyrrol-2-yl)-4-oxidanylidene-but-2-enoate

Systemtic Name: tert-butyl (E)-4-(1-methylpyrrol-2-yl)-4-oxidanylidene-but-2-enoate Openeye Name: tert-butyl (E)-4-(1-methylpyrrol-2-yl)-4-oxo-but-2-enoate CAS Name: (E)-4-(1-methyl-2-pyrrolyl)-4-oxo-2-butenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-4-(1-methylpyrrol-2-yl)-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-(1-methylpyrrol-2-yl)but-2-enoic acid tert-butyl ester Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CC(=O)C1=CC=CN1C

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/C(=O)C1=CC=CN1C

InChI

InChI=1S/C13H17NO3/c1-13(2,3)17-12(16)8-7-11(15)10-6-5-9-14(10)4/h5-9H,1-4H3/b8-7+