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

Systemtic Name: methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-4-nitro-benzoate Openeye Name: methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-4-nitro-benzoate CAS Name: 2-[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-4-nitrobenzoate Traditional Name: 2-[(4-methoxy-6-methyl-s-triazin-2-yl)carbamoylsulfamoyl]-4-nitro-benzoic acid methyl ester Formula: C14H14N6O8S MolecularWeight: 426.36136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H14N6O8S/c1-7-15-12(18-14(16-7)28-3)17-13(22)19-29(25,26)10-6-8(20(23)24)4-5-9(10)11(21)27-2/h4-6H,1-3H3,(H2,15,16,17,18,19,22)