2-[2-nitro-4-(trifluoromethyl)phenyl]carbonyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]carbonyl-3-oxidanylidene-butanenitrile Openeye Name: 2-[2-nitro-4-(trifluoromethyl)benzoyl]-3-oxo-butanenitrile CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]-oxomethyl]-3-oxobutanenitrile IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)benzoyl]-3-oxobutanenitrile Traditional Name: 3-keto-2-[2-nitro-4-(trifluoromethyl)benzoyl]butyronitrile Formula: C12H7F3N2O4 MolecularWeight: 300.19019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7F3N2O4/c1-6(18)9(5-16)11(19)8-3-2-7(12(13,14)15)4-10(8)17(20)21/h2-4,9H,1H3