(3,3-dimethyl-2-oxidanylidene-butyl) 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C11H14BrNO3 MolecularWeight: 288.13776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=CN1)Br

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=CN1)Br

InChI

InChI=1S/C11H14BrNO3/c1-11(2,3)9(14)6-16-10(15)8-4-7(12)5-13-8/h4-5,13H,6H2,1-3H3