methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-6-nitro-benzoate

Systemtic Name: methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-6-nitro-benzoate Openeye Name: methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-6-nitro-benzoate CAS Name: 2-[[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]-6-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-6-nitrobenzoate Traditional Name: 2-[(4,6-dimethoxy-s-triazin-2-yl)carbamoylsulfamoyl]-6-nitro-benzoic acid methyl ester Formula: C14H14N6O9S MolecularWeight: 442.36076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC(=C2C(=O)OC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC(=C2C(=O)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C14H14N6O9S/c1-27-10(21)9-7(20(23)24)5-4-6-8(9)30(25,26)19-12(22)15-11-16-13(28-2)18-14(17-11)29-3/h4-6H,1-3H3,(H2,15,16,17,18,19,22)