4-nitro-3-phenyl-2-propan-2-yl-butanenitrile

Systemtic Name: 4-nitro-3-phenyl-2-propan-2-yl-butanenitrile Openeye Name: 2-isopropyl-4-nitro-3-phenyl-butanenitrile CAS Name: 4-nitro-3-phenyl-2-propan-2-ylbutanenitrile IUPAC Name: 4-nitro-3-phenyl-2-propan-2-ylbutanenitrile Traditional Name: 2-isopropyl-4-nitro-3-phenyl-butyronitrile Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O2/c1-10(2)12(8-14)13(9-15(16)17)11-6-4-3-5-7-11/h3-7,10,12-13H,9H2,1-2H3