2-(2-methyl-5-nitro-phenyl)butanenitrile

Systemtic Name: 2-(2-methyl-5-nitro-phenyl)butanenitrile Openeye Name: 2-(2-methyl-5-nitro-phenyl)butanenitrile CAS Name: 2-(2-methyl-5-nitrophenyl)butanenitrile IUPAC Name: 2-(2-methyl-5-nitrophenyl)butanenitrile Traditional Name: 2-(2-methyl-5-nitro-phenyl)butyronitrile Formula: C11H12N2O2 MolecularWeight: 204.22518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O2/c1-3-9(7-12)11-6-10(13(14)15)5-4-8(11)2/h4-6,9H,3H2,1-2H3