4-bromanyl-1,2-dimethyl-5-phenyl-pyrrole-3-carboxylic acid

Systemtic Name: 4-bromanyl-1,2-dimethyl-5-phenyl-pyrrole-3-carboxylic acid Openeye Name: 4-bromo-1,2-dimethyl-5-phenyl-pyrrole-3-carboxylic acid CAS Name: 4-bromo-1,2-dimethyl-5-phenyl-3-pyrrolecarboxylic acid IUPAC Name: 4-bromo-1,2-dimethyl-5-phenylpyrrole-3-carboxylic acid Traditional Name: 4-bromo-1,2-dimethyl-5-phenyl-pyrrole-3-carboxylic acid Formula: C13H12BrNO2 MolecularWeight: 294.14388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C2=CC=CC=C2)Br)C(=O)O

Isomeric SMILES

CC1=C(C(=C(N1C)C2=CC=CC=C2)Br)C(=O)O

InChI

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