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

Systemtic Name: ethyl 5-(3-methyl-5-nitro-imidazol-4-yl)oxy-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-(3-methyl-5-nitro-imidazol-4-yl)oxy-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(3-methyl-5-nitro-4-imidazolyl)oxy]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-methyl-5-nitroimidazol-4-yl)oxy-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-(3-methyl-5-nitro-imidazol-4-yl)oxy-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C21H17N3O6 MolecularWeight: 407.37618

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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-])C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC3=C(N=CN3C)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O6/c1-3-28-21(25)17-15-11-14(29-20-19(24(26)27)22-12-23(20)2)9-10-16(15)30-18(17)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3