ethyl 5-bromanyl-3-[(4-nitroimidazol-1-yl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[(4-nitroimidazol-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(4-nitroimidazol-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[(4-nitro-1-imidazolyl)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(4-nitroimidazol-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[(4-nitroimidazol-1-yl)methyl]coumarilic acid ethyl ester Formula: C15H12BrN3O5 MolecularWeight: 394.17688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12BrN3O5/c1-2-23-15(20)14-11(6-18-7-13(17-8-18)19(21)22)10-5-9(16)3-4-12(10)24-14/h3-5,7-8H,2,6H2,1H3