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

Systemtic Name: ethyl 2-methyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenoxy)-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-methyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenoxy)benzofuran-3-carboxylate CAS Name: 2-methyl-5-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenoxy]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-(4-nitro-2-pyrrolidinosulfonyl-phenoxy)benzofuran-3-carboxylic acid ethyl ester Formula: C22H22N2O8S MolecularWeight: 474.48368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C22H22N2O8S/c1-3-30-22(25)21-14(2)31-18-9-7-16(13-17(18)21)32-19-8-6-15(24(26)27)12-20(19)33(28,29)23-10-4-5-11-23/h6-9,12-13H,3-5,10-11H2,1-2H3