2-[(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)carbamoylsulfamoyl]benzoic acid

Systemtic Name: 2-[(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)carbamoylsulfamoyl]benzoic acid Openeye Name: 2-[(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)carbamoylsulfamoyl]benzoic acid CAS Name: 2-[[[(2,6-dimethoxy-5-nitro-4-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[(2,6-dimethoxy-5-nitropyrimidin-4-yl)carbamoylsulfamoyl]benzoic acid Traditional Name: 2-[(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)carbamoylsulfamoyl]benzoic acid Formula: C14H13N5O9S MolecularWeight: 427.34612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1[N+](=O)[O-])NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)OC

Isomeric SMILES

COC1=NC(=NC(=C1[N+](=O)[O-])NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)OC

InChI

InChI=1S/C14H13N5O9S/c1-27-11-9(19(23)24)10(16-14(17-11)28-2)15-13(22)18-29(25,26)8-6-4-3-5-7(8)12(20)21/h3-6H,1-2H3,(H,20,21)(H2,15,16,17,18,22)