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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1Br)C(=O)C2=CC=C(C=C2)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1Br)C(=O)C2=CC=C(C=C2)C)C)C

InChI

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