ethyl 4-[2-(3-bromophenyl)ethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[2-(3-bromophenyl)ethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-(3-bromophenyl)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-(3-bromophenyl)-1-oxoethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-bromophenyl)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-(3-bromophenyl)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C17H18BrNO3 MolecularWeight: 364.23372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CC2=CC(=CC=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CC2=CC(=CC=C2)Br)C

InChI

InChI=1S/C17H18BrNO3/c1-4-22-17(21)16-10(2)15(11(3)19-16)14(20)9-12-6-5-7-13(18)8-12/h5-8,19H,4,9H2,1-3H3