ethyl 4-(3-bromophenyl)carbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(3-bromophenyl)carbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-(3-bromobenzoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(3-bromophenyl)-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromobenzoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(3-bromobenzoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C16H16BrNO3 MolecularWeight: 350.20714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO3/c1-4-21-16(20)14-9(2)13(10(3)18-14)15(19)11-6-5-7-12(17)8-11/h5-8,18H,4H2,1-3H3