[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C16H14BrNO4 MolecularWeight: 364.19066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)C2=CC(=CC=C2)Br)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)C2=CC(=CC=C2)Br)C

InChI

InChI=1S/C16H14BrNO4/c1-10(19)12-7-14(18(2)8-12)16(21)22-9-15(20)11-4-3-5-13(17)6-11/h3-8H,9H2,1-2H3