3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]-4-methoxy-benzoic acid

Systemtic Name: 3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]-4-methoxy-benzoic acid Openeye Name: 3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]-4-methoxy-benzoic acid CAS Name: 3-[2-(4,5-dimethoxy-2-nitrophenyl)ethylsulfamoyl]-4-methoxybenzoic acid IUPAC Name: 3-[2-(4,5-dimethoxy-2-nitrophenyl)ethylsulfamoyl]-4-methoxybenzoic acid Traditional Name: 3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]-4-methoxy-benzoic acid Formula: C18H20N2O9S MolecularWeight: 440.4244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NCCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NCCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C18H20N2O9S/c1-27-14-5-4-12(18(21)22)9-17(14)30(25,26)19-7-6-11-8-15(28-2)16(29-3)10-13(11)20(23)24/h4-5,8-10,19H,6-7H2,1-3H3,(H,21,22)