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

Systemtic Name: 4-methoxy-5-(3-nitrophenyl)-3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]pentanenitrile Openeye Name: 4-methoxy-5-(3-nitrophenyl)-3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile CAS Name: 4-methoxy-5-(3-nitrophenyl)-3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile IUPAC Name: 4-methoxy-5-(3-nitrophenyl)-3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile Traditional Name: 3-keto-4-methoxy-5-(3-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]valeronitrile Formula: C19H15F3N2O4 MolecularWeight: 392.32861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15F3N2O4/c1-28-17(9-12-4-2-7-15(8-12)24(26)27)18(25)16(11-23)13-5-3-6-14(10-13)19(20,21)22/h2-8,10,16-17H,9H2,1H3