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

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] 1H-pyrrole-2-carboxylate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C15H14BrNO3 MolecularWeight: 336.18056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrNO3/c16-12-7-5-11(6-8-12)14(18)4-2-10-20-15(19)13-3-1-9-17-13/h1,3,5-9,17H,2,4,10H2