dimethyl 5-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(4-morpholinosulfonyl-2-nitro-phenoxy)benzene-1,3-dicarboxylate CAS Name: 5-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)benzene-1,3-dicarboxylate Traditional Name: 5-(4-morpholinosulfonyl-2-nitro-phenoxy)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H20N2O10S MolecularWeight: 480.4452

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H20N2O10S/c1-29-19(23)13-9-14(20(24)30-2)11-15(10-13)32-18-4-3-16(12-17(18)22(25)26)33(27,28)21-5-7-31-8-6-21/h3-4,9-12H,5-8H2,1-2H3