2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoylmethyl]-3-nitro-benzoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)CC2=C(C=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)CC2=C(C=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H14N6O8S/c1-7-15-12(18-14(16-7)28-2)17-13(23)19-29(26,27)6-9-8(11(21)22)4-3-5-10(9)20(24)25/h3-5H,6H2,1-2H3,(H,21,22)(H2,15,16,17,18,19,23)