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

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-5-methoxy-2-[(5-nitro-2-oxidanyl-phenyl)methyl]indazol-3-one Openeye Name: 1-(4-fluorophenyl)sulfonyl-2-[(2-hydroxy-5-nitro-phenyl)methyl]-5-methoxy-indazol-3-one CAS Name: 1-(4-fluorophenyl)sulfonyl-2-[(2-hydroxy-5-nitrophenyl)methyl]-5-methoxy-3-indazolone IUPAC Name: 1-(4-fluorophenyl)sulfonyl-2-[(2-hydroxy-5-nitrophenyl)methyl]-5-methoxyindazol-3-one Traditional Name: 1-(4-fluorophenyl)sulfonyl-2-(2-hydroxy-5-nitro-benzyl)-5-methoxy-indazolin-3-one Formula: C21H16FN3O7S MolecularWeight: 473.431043

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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)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)F

InChI

InChI=1S/C21H16FN3O7S/c1-32-16-5-8-19-18(11-16)21(27)23(12-13-10-15(25(28)29)4-9-20(13)26)24(19)33(30,31)17-6-2-14(22)3-7-17/h2-11,26H,12H2,1H3