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

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO4/c1-12(21)14-10-16(20(2)11-14)18(23)24-9-3-4-17(22)13-5-7-15(19)8-6-13/h5-8,10-11H,3-4,9H2,1-2H3