5-[2-(5-bromanyl-2-oxidanyl-phenyl)cyclopenten-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-[2-(5-bromanyl-2-oxidanyl-phenyl)cyclopenten-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-[2-(5-bromo-2-hydroxy-phenyl)cyclopenten-1-yl]pyridine-3-carboxylic acid CAS Name: 5-[2-(5-bromo-2-hydroxyphenyl)-1-cyclopentenyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[2-(5-bromo-2-hydroxyphenyl)cyclopenten-1-yl]pyridine-3-carboxylic acid Traditional Name: 5-[2-(5-bromo-2-hydroxy-phenyl)cyclopenten-1-yl]nicotinic acid Formula: C17H14BrNO3 MolecularWeight: 360.20196

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C1)C2=C(C=CC(=C2)Br)O)C3=CC(=CN=C3)C(=O)O

Isomeric SMILES

C1CC(=C(C1)C2=C(C=CC(=C2)Br)O)C3=CC(=CN=C3)C(=O)O

InChI

InChI=1S/C17H14BrNO3/c18-12-4-5-16(20)15(7-12)14-3-1-2-13(14)10-6-11(17(21)22)9-19-8-10/h4-9,20H,1-3H2,(H,21,22)