1-(3-bromophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-(3-bromophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 1-(3-bromophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 1-(3-bromophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 1-(3-bromophenyl)-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-(3-bromophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C13H12BrNO2 MolecularWeight: 294.14388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)O

InChI

InChI=1S/C13H12BrNO2/c1-8-6-12(13(16)17)9(2)15(8)11-5-3-4-10(14)7-11/h3-7H,1-2H3,(H,16,17)