2-(3-fluoranyl-4-oxidanyl-phenyl)-3-(2-nitro-4-oxidanyl-phenyl)propanenitrile

Systemtic Name: 2-(3-fluoranyl-4-oxidanyl-phenyl)-3-(2-nitro-4-oxidanyl-phenyl)propanenitrile Openeye Name: 2-(3-fluoro-4-hydroxy-phenyl)-3-(4-hydroxy-2-nitro-phenyl)propanenitrile CAS Name: 2-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-2-nitrophenyl)propanenitrile IUPAC Name: 2-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-2-nitrophenyl)propanenitrile Traditional Name: 2-(3-fluoro-4-hydroxy-phenyl)-3-(4-hydroxy-2-nitro-phenyl)propionitrile Formula: C15H11FN2O4 MolecularWeight: 302.257243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(CC2=C(C=C(C=C2)O)[N+](=O)[O-])C#N)F)O

Isomeric SMILES

C1=CC(=C(C=C1C(CC2=C(C=C(C=C2)O)[N+](=O)[O-])C#N)F)O

InChI

InChI=1S/C15H11FN2O4/c16-13-6-9(2-4-15(13)20)11(8-17)5-10-1-3-12(19)7-14(10)18(21)22/h1-4,6-7,11,19-20H,5H2