[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C15H14BrNO3 MolecularWeight: 336.18056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C15H14BrNO3/c1-9-3-5-11(6-4-9)14(18)10(2)20-15(19)13-7-12(16)8-17-13/h3-8,10,17H,1-2H3