5-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[(1-oxidopyridin-1-ium-3-yl)methyl]benzofuran-2-carboxylic acid CAS Name: 5-[(1-oxido-3-pyridin-1-iumyl)methyl]-2-benzofurancarboxylic acid IUPAC Name: 5-[(1-oxidopyridin-1-ium-3-yl)methyl]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[(1-oxidopyridin-1-ium-3-yl)methyl]coumarilic acid Formula: C15H11NO4 MolecularWeight: 269.25214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)[O-])CC2=CC3=C(C=C2)OC(=C3)C(=O)O

Isomeric SMILES

C1=CC(=C[N+](=C1)[O-])CC2=CC3=C(C=C2)OC(=C3)C(=O)O

InChI

InChI=1S/C15H11NO4/c17-15(18)14-8-12-7-10(3-4-13(12)20-14)6-11-2-1-5-16(19)9-11/h1-5,7-9H,6H2,(H,17,18)