(4-methylphenyl)carbonyl 4-bromanyl-5-ethyl-1,2-dimethyl-pyrrole-3-carboxylate

Systemtic Name: (4-methylphenyl)carbonyl 4-bromanyl-5-ethyl-1,2-dimethyl-pyrrole-3-carboxylate Openeye Name: (4-methylbenzoyl) 4-bromo-5-ethyl-1,2-dimethyl-pyrrole-3-carboxylate CAS Name: 4-bromo-5-ethyl-1,2-dimethyl-3-pyrrolecarboxylic acid [(4-methylphenyl)-oxomethyl] ester IUPAC Name: (4-methylbenzoyl) 4-bromo-5-ethyl-1,2-dimethylpyrrole-3-carboxylate Traditional Name: 4-bromo-5-ethyl-1,2-dimethyl-pyrrole-3-carboxylic acid p-toluoyl ester Formula: C17H18BrNO3 MolecularWeight: 364.23372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1C)C)C(=O)OC(=O)C2=CC=C(C=C2)C)Br

Isomeric SMILES

CCC1=C(C(=C(N1C)C)C(=O)OC(=O)C2=CC=C(C=C2)C)Br

InChI

InChI=1S/C17H18BrNO3/c1-5-13-15(18)14(11(3)19(13)4)17(21)22-16(20)12-8-6-10(2)7-9-12/h6-9H,5H2,1-4H3