4-[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1-oxidanidyl-pyridin-1-ium-2-carboxamide

Systemtic Name: 4-[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1-oxidanidyl-pyridin-1-ium-2-carboxamide Openeye Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1-oxido-pyridin-1-ium-2-carboxamide CAS Name: 4-[4-[[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]amino]phenoxy]-1-oxido-2-pyridin-1-iumcarboxamide IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1-oxidopyridin-1-ium-2-carboxamide Traditional Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1-oxido-pyridin-1-ium-2-carboxamide Formula: C20H14ClF3N4O4 MolecularWeight: 466.79777

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)OC3=CC(=[N+](C=C3)[O-])C(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)OC3=CC(=[N+](C=C3)[O-])C(=O)N

InChI

InChI=1S/C20H14ClF3N4O4/c21-16-6-3-12(9-15(16)20(22,23)24)27-19(30)26-11-1-4-13(5-2-11)32-14-7-8-28(31)17(10-14)18(25)29/h1-10H,(H2,25,29)(H2,26,27,30)