4-methoxy-5-(6-nitronaphthalen-1-yl)-3-oxidanylidene-2-(trifluoromethyl)pentanenitrile

Systemtic Name: 4-methoxy-5-(6-nitronaphthalen-1-yl)-3-oxidanylidene-2-(trifluoromethyl)pentanenitrile Openeye Name: 4-methoxy-5-(6-nitro-1-naphthyl)-3-oxo-2-(trifluoromethyl)pentanenitrile CAS Name: 4-methoxy-5-(6-nitro-1-naphthalenyl)-3-oxo-2-(trifluoromethyl)pentanenitrile IUPAC Name: 4-methoxy-5-(6-nitronaphthalen-1-yl)-3-oxo-2-(trifluoromethyl)pentanenitrile Traditional Name: 3-keto-4-methoxy-5-(6-nitro-1-naphthyl)-2-(trifluoromethyl)valeronitrile Formula: C17H13F3N2O4 MolecularWeight: 366.29133

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CC=CC2=C1C=CC(=C2)[N+](=O)[O-])C(=O)C(C#N)C(F)(F)F

Isomeric SMILES

COC(CC1=CC=CC2=C1C=CC(=C2)[N+](=O)[O-])C(=O)C(C#N)C(F)(F)F

InChI

InChI=1S/C17H13F3N2O4/c1-26-15(16(23)14(9-21)17(18,19)20)8-11-4-2-3-10-7-12(22(24)25)5-6-13(10)11/h2-7,14-15H,8H2,1H3