ethyl 2-methyl-5-(3-methyl-5-nitro-imidazol-4-yl)oxy-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-(3-methyl-5-nitro-imidazol-4-yl)oxy-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-methyl-5-(3-methyl-5-nitro-imidazol-4-yl)oxy-benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(3-methyl-5-nitro-4-imidazolyl)oxy]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-(3-methyl-5-nitroimidazol-4-yl)oxy-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-(3-methyl-5-nitro-imidazol-4-yl)oxy-benzofuran-3-carboxylic acid ethyl ester Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC3=C(N=CN3C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC3=C(N=CN3C)[N+](=O)[O-])C

InChI

InChI=1S/C16H15N3O6/c1-4-23-16(20)13-9(2)24-12-6-5-10(7-11(12)13)25-15-14(19(21)22)17-8-18(15)3/h5-8H,4H2,1-3H3