2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]-3-nitro-benzoic acid

Systemtic Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]-3-nitro-benzoic acid Openeye Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]-3-nitro-benzoic acid CAS Name: 2-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoylmethyl]-3-nitrobenzoic acid IUPAC Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]-3-nitrobenzoic acid Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]-3-nitro-benzoic acid Formula: C15H15N5O9S MolecularWeight: 441.3727

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=C(C=CC=C2[N+](=O)[O-])C(=O)O)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=C(C=CC=C2[N+](=O)[O-])C(=O)O)OC

InChI

InChI=1S/C15H15N5O9S/c1-28-11-6-12(29-2)17-14(16-11)18-15(23)19-30(26,27)7-9-8(13(21)22)4-3-5-10(9)20(24)25/h3-6H,7H2,1-2H3,(H,21,22)(H2,16,17,18,19,23)