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

Systemtic Name: methyl 3-[(4-nitroimidazol-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: methyl 3-[(4-nitroimidazol-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 3-[(4-nitro-1-imidazolyl)methyl]-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-nitroimidazol-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[(4-nitroimidazol-1-yl)methyl]coumarilic acid methyl ester Formula: C14H11N3O5 MolecularWeight: 301.25424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2O1)CN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2O1)CN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O5/c1-21-14(18)13-10(9-4-2-3-5-11(9)22-13)6-16-7-12(15-8-16)17(19)20/h2-5,7-8H,6H2,1H3