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2-(5-nitro-2-propan-2-yl-phenyl)butanenitrile

2-(5-nitro-2-propan-2-yl-phenyl)butanenitrile

Systemtic Name:2-(5-nitro-2-propan-2-yl-phenyl)butanenitrile
Openeye Name:2-(2-isopropyl-5-nitro-phenyl)butanenitrile
CAS Name:2-(5-nitro-2-propan-2-ylphenyl)butanenitrile
IUPAC Name:2-(5-nitro-2-propan-2-ylphenyl)butanenitrile
Traditional Name:2-(2-isopropyl-5-nitro-phenyl)butyronitrile
Formula: C13H16N2O2
MolecularWeight: 232.27834
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H16N2O2/c1-4-10(8-14)13-7-11(15(16)17)5-6-12(13)9(2)3/h5-7,9-10H,4H2,1-3H3


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