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

Systemtic Name: dimethyl 5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)benzene-1,3-dicarboxylate CAS Name: 5-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)benzene-1,3-dicarboxylate Traditional Name: 5-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H20N2O9S MolecularWeight: 464.4458

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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)N3CCCC3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H20N2O9S/c1-29-19(23)13-9-14(20(24)30-2)11-15(10-13)31-18-6-5-16(12-17(18)22(25)26)32(27,28)21-7-3-4-8-21/h5-6,9-12H,3-4,7-8H2,1-2H3