3-[(4-nitroimidazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-[(4-nitroimidazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid Openeye Name: 3-[(4-nitroimidazol-1-yl)methyl]benzofuran-2-carboxylic acid CAS Name: 3-[(4-nitro-1-imidazolyl)methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-[(4-nitroimidazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-[(4-nitroimidazol-1-yl)methyl]coumarilic acid Formula: C13H9N3O5 MolecularWeight: 287.22766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C(=O)O)CN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)O)CN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O5/c17-13(18)12-9(8-3-1-2-4-10(8)21-12)5-15-6-11(14-7-15)16(19)20/h1-4,6-7H,5H2,(H,17,18)