sodium 1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-(2-nitrophenyl)sulfonyl-urea

Systemtic Name: sodium 1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-(2-nitrophenyl)sulfonyl-urea Openeye Name: sodium 1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-(2-nitrophenyl)sulfonyl-urea CAS Name: sodium 1-[4-methoxy-6-(trifluoromethyl)-2-pyrimidinyl]-3-(2-nitrophenyl)sulfonylurea IUPAC Name: sodium 1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-(2-nitrophenyl)sulfonylurea Traditional Name: sodium 1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-(2-nitrophenyl)sulfonyl-urea Formula: C13H10F3N5NaO6S+ MolecularWeight: 444.29838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)C(F)(F)F)NC(=O)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-].[Na+]

Isomeric SMILES

COC1=NC(=NC(=C1)C(F)(F)F)NC(=O)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-].[Na+]

InChI

InChI=1S/C13H10F3N5O6S.Na/c1-27-10-6-9(13(14,15)16)17-11(18-10)19-12(22)20-28(25,26)8-5-3-2-4-7(8)21(23)24;/h2-6H,1H3,(H2,17,18,19,20,22);/q;+1