4-methoxy-5-(3-methoxy-2-nitro-phenyl)-3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]pentanenitrile

Systemtic Name: 4-methoxy-5-(3-methoxy-2-nitro-phenyl)-3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]pentanenitrile Openeye Name: 4-methoxy-5-(3-methoxy-2-nitro-phenyl)-3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile CAS Name: 4-methoxy-5-(3-methoxy-2-nitrophenyl)-3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile IUPAC Name: 4-methoxy-5-(3-methoxy-2-nitrophenyl)-3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile Traditional Name: 3-keto-4-methoxy-5-(3-methoxy-2-nitro-phenyl)-2-[3-(trifluoromethyl)phenyl]valeronitrile Formula: C20H17F3N2O5 MolecularWeight: 422.35459

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1[N+](=O)[O-])CC(C(=O)C(C#N)C2=CC(=CC=C2)C(F)(F)F)OC

Isomeric SMILES

COC1=CC=CC(=C1[N+](=O)[O-])CC(C(=O)C(C#N)C2=CC(=CC=C2)C(F)(F)F)OC

InChI

InChI=1S/C20H17F3N2O5/c1-29-16-8-4-6-13(18(16)25(27)28)10-17(30-2)19(26)15(11-24)12-5-3-7-14(9-12)20(21,22)23/h3-9,15,17H,10H2,1-2H3