2-(4-chloranyl-2-nitro-phenyl)carbonylbutanenitrile

Systemtic Name: 2-(4-chloranyl-2-nitro-phenyl)carbonylbutanenitrile Openeye Name: 2-(4-chloro-2-nitro-benzoyl)butanenitrile CAS Name: 2-[(4-chloro-2-nitrophenyl)-oxomethyl]butanenitrile IUPAC Name: 2-(4-chloro-2-nitrobenzoyl)butanenitrile Traditional Name: 2-(4-chloro-2-nitro-benzoyl)butyronitrile Formula: C11H9ClN2O3 MolecularWeight: 252.65376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9ClN2O3/c1-2-7(6-13)11(15)9-4-3-8(12)5-10(9)14(16)17/h3-5,7H,2H2,1H3