5-methoxy-2-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-[4-(trifluoromethyloxy)phenyl]sulfonyl-indazol-3-one

Systemtic Name: 5-methoxy-2-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-[4-(trifluoromethyloxy)phenyl]sulfonyl-indazol-3-one Openeye Name: 2-[(2-hydroxy-5-nitro-phenyl)methyl]-5-methoxy-1-[4-(trifluoromethoxy)phenyl]sulfonyl-indazol-3-one CAS Name: 2-[(2-hydroxy-5-nitrophenyl)methyl]-5-methoxy-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3-indazolone IUPAC Name: 2-[(2-hydroxy-5-nitrophenyl)methyl]-5-methoxy-1-[4-(trifluoromethoxy)phenyl]sulfonylindazol-3-one Traditional Name: 2-(2-hydroxy-5-nitro-benzyl)-5-methoxy-1-[4-(trifluoromethoxy)phenyl]sulfonyl-indazolin-3-one Formula: C22H16F3N3O8S MolecularWeight: 539.43795

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(N(C2=O)CC3=C(C=CC(=C3)[N+](=O)[O-])O)S(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)N(N(C2=O)CC3=C(C=CC(=C3)[N+](=O)[O-])O)S(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C22H16F3N3O8S/c1-35-16-5-8-19-18(11-16)21(30)26(12-13-10-14(28(31)32)2-9-20(13)29)27(19)37(33,34)17-6-3-15(4-7-17)36-22(23,24)25/h2-11,29H,12H2,1H3