tert-butyl 5-(4-bromophenyl)-2-methyl-4-oxidanyl-1H-pyrrole-3-carboxylate

Systemtic Name: tert-butyl 5-(4-bromophenyl)-2-methyl-4-oxidanyl-1H-pyrrole-3-carboxylate Openeye Name: tert-butyl 5-(4-bromophenyl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-(4-bromophenyl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(4-bromophenyl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(4-bromophenyl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylic acid tert-butyl ester Formula: C16H18BrNO3 MolecularWeight: 352.22302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C2=CC=C(C=C2)Br)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=C(N1)C2=CC=C(C=C2)Br)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H18BrNO3/c1-9-12(15(20)21-16(2,3)4)14(19)13(18-9)10-5-7-11(17)8-6-10/h5-8,18-19H,1-4H3