2-(3-methyl-4-nitro-phenyl)carbonylbutanenitrile

Systemtic Name: 2-(3-methyl-4-nitro-phenyl)carbonylbutanenitrile Openeye Name: 2-(3-methyl-4-nitro-benzoyl)butanenitrile CAS Name: 2-[(3-methyl-4-nitrophenyl)-oxomethyl]butanenitrile IUPAC Name: 2-(3-methyl-4-nitrobenzoyl)butanenitrile Traditional Name: 2-(3-methyl-4-nitro-benzoyl)butyronitrile Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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