2-(2-methyl-6-nitro-phenyl)carbonylbutanenitrile

Systemtic Name: 2-(2-methyl-6-nitro-phenyl)carbonylbutanenitrile Openeye Name: 2-(2-methyl-6-nitro-benzoyl)butanenitrile CAS Name: 2-[(2-methyl-6-nitrophenyl)-oxomethyl]butanenitrile IUPAC Name: 2-(2-methyl-6-nitrobenzoyl)butanenitrile Traditional Name: 2-(2-methyl-6-nitro-benzoyl)butyronitrile Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3/c1-3-9(7-13)12(15)11-8(2)5-4-6-10(11)14(16)17/h4-6,9H,3H2,1-2H3