2-(4-nitrophenyl)-5-oxidanylidene-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-(4-nitrophenyl)-5-oxidanylidene-2-propan-2-yl-pentanenitrile Openeye Name: 2-isopropyl-2-(4-nitrophenyl)-5-oxo-pentanenitrile CAS Name: 2-(4-nitrophenyl)-5-oxo-2-propan-2-ylpentanenitrile IUPAC Name: 2-(4-nitrophenyl)-5-oxo-2-propan-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-keto-2-(4-nitrophenyl)valeronitrile Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3/c1-11(2)14(10-15,8-3-9-17)12-4-6-13(7-5-12)16(18)19/h4-7,9,11H,3,8H2,1-2H3