5-bromanyl-3-pyrrol-1-yl-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-bromanyl-3-pyrrol-1-yl-1-benzofuran-2-carboxylic acid Openeye Name: 5-bromo-3-pyrrol-1-yl-benzofuran-2-carboxylic acid CAS Name: 5-bromo-3-(1-pyrrolyl)-2-benzofurancarboxylic acid IUPAC Name: 5-bromo-3-pyrrol-1-yl-1-benzofuran-2-carboxylic acid Traditional Name: 5-bromo-3-pyrrol-1-yl-coumarilic acid Formula: C13H8BrNO3 MolecularWeight: 306.11152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=C(OC3=C2C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CN(C=C1)C2=C(OC3=C2C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C13H8BrNO3/c14-8-3-4-10-9(7-8)11(12(18-10)13(16)17)15-5-1-2-6-15/h1-7H,(H,16,17)