ethyl 2-methyl-5-(4-methylsulfonyl-2-nitro-phenoxy)-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-(4-methylsulfonyl-2-nitro-phenoxy)-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-methyl-5-(4-methylsulfonyl-2-nitro-phenoxy)benzofuran-3-carboxylate CAS Name: 2-methyl-5-(4-methylsulfonyl-2-nitrophenoxy)-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-(4-methylsulfonyl-2-nitrophenoxy)-1-benzofuran-3-carboxylate Traditional Name: 5-(4-mesyl-2-nitro-phenoxy)-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C19H17NO8S MolecularWeight: 419.40518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H17NO8S/c1-4-26-19(21)18-11(2)27-16-7-5-12(9-14(16)18)28-17-8-6-13(29(3,24)25)10-15(17)20(22)23/h5-10H,4H2,1-3H3