5-(2-nitro-1-phenyl-ethyl)-5-(trifluoromethyl)furan-2-one

Systemtic Name: 5-(2-nitro-1-phenyl-ethyl)-5-(trifluoromethyl)furan-2-one Openeye Name: 5-(2-nitro-1-phenyl-ethyl)-5-(trifluoromethyl)furan-2-one CAS Name: 5-(2-nitro-1-phenylethyl)-5-(trifluoromethyl)-2-furanone IUPAC Name: 5-(2-nitro-1-phenylethyl)-5-(trifluoromethyl)furan-2-one Traditional Name: 5-(2-nitro-1-phenyl-ethyl)-5-(trifluoromethyl)furan-2-one Formula: C13H10F3NO4 MolecularWeight: 301.21801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C[N+](=O)[O-])C2(C=CC(=O)O2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(C[N+](=O)[O-])C2(C=CC(=O)O2)C(F)(F)F

InChI

InChI=1S/C13H10F3NO4/c14-13(15,16)12(7-6-11(18)21-12)10(8-17(19)20)9-4-2-1-3-5-9/h1-7,10H,8H2