5-fluoranyl-3-methyl-2-[3-nitro-4,5-bis(oxidanyl)phenyl]sulfonyl-benzenecarbonitrile

Systemtic Name: 5-fluoranyl-3-methyl-2-[3-nitro-4,5-bis(oxidanyl)phenyl]sulfonyl-benzenecarbonitrile Openeye Name: 2-(3,4-dihydroxy-5-nitro-phenyl)sulfonyl-5-fluoro-3-methyl-benzonitrile CAS Name: 2-(3,4-dihydroxy-5-nitrophenyl)sulfonyl-5-fluoro-3-methylbenzonitrile IUPAC Name: 2-(3,4-dihydroxy-5-nitrophenyl)sulfonyl-5-fluoro-3-methylbenzonitrile Traditional Name: 2-(3,4-dihydroxy-5-nitro-phenyl)sulfonyl-5-fluoro-3-methyl-benzonitrile Formula: C14H9FN2O6S MolecularWeight: 352.294463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)F)C#N)S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)F)C#N)S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])O)O

InChI

InChI=1S/C14H9FN2O6S/c1-7-2-9(15)3-8(6-16)14(7)24(22,23)10-4-11(17(20)21)13(19)12(18)5-10/h2-5,18-19H,1H3