ethyl 4-(4-bromophenyl)carbonyl-5-(chloromethyl)-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)carbonyl-5-(chloromethyl)-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-(4-bromobenzoyl)-5-(chloromethyl)-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(4-bromophenyl)-oxomethyl]-5-(chloromethyl)-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromobenzoyl)-5-(chloromethyl)-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-bromobenzoyl)-5-(chloromethyl)-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C16H15BrClNO3 MolecularWeight: 384.6522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)CCl)C(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)CCl)C(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C16H15BrClNO3/c1-3-22-16(21)14-9(2)13(12(8-18)19-14)15(20)10-4-6-11(17)7-5-10/h4-7,19H,3,8H2,1-2H3