methyl 2-[(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)carbamoylsulfamoyl]benzoate

Systemtic Name: methyl 2-[(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)carbamoylsulfamoyl]benzoate Openeye Name: methyl 2-[(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)carbamoylsulfamoyl]benzoate CAS Name: 2-[[[(2,6-dimethoxy-5-nitro-4-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(2,6-dimethoxy-5-nitropyrimidin-4-yl)carbamoylsulfamoyl]benzoate Traditional Name: 2-[(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)carbamoylsulfamoyl]benzoic acid methyl ester Formula: C15H15N5O9S MolecularWeight: 441.3727

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O9S/c1-27-12-10(20(23)24)11(17-15(18-12)29-3)16-14(22)19-30(25,26)9-7-5-4-6-8(9)13(21)28-2/h4-7H,1-3H3,(H2,16,17,18,19,22)