3-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]sulfonyl-1,1-dimethyl-urea

Systemtic Name: 3-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]sulfonyl-1,1-dimethyl-urea Openeye Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]sulfonyl-1,1-dimethyl-urea CAS Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]sulfonyl-1,1-dimethylurea IUPAC Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]sulfonyl-1,1-dimethylurea Traditional Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]sulfonyl-1,1-dimethyl-urea Formula: C16H13ClF3N3O6S MolecularWeight: 467.80413

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NS(=O)(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)NS(=O)(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClF3N3O6S/c1-22(2)15(24)21-30(27,28)14-8-10(4-5-12(14)23(25)26)29-13-6-3-9(7-11(13)17)16(18,19)20/h3-8H,1-2H3,(H,21,24)