2-[[2-(2-fluorophenyl)-2-oxidanyl-ethyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[2-(2-fluorophenyl)-2-oxidanyl-ethyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[2-(2-fluorophenyl)-2-hydroxy-ethyl]amino]-5-nitro-benzonitrile CAS Name: 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[2-(2-fluorophenyl)-2-hydroxy-ethyl]amino]-5-nitro-benzonitrile Formula: C15H12FN3O3 MolecularWeight: 301.272483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)O)F

Isomeric SMILES

C1=CC=C(C(=C1)C(CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)O)F

InChI

InChI=1S/C15H12FN3O3/c16-13-4-2-1-3-12(13)15(20)9-18-14-6-5-11(19(21)22)7-10(14)8-17/h1-7,15,18,20H,9H2