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

Systemtic Name: 2-(4-methoxy-3-nitro-phenyl)carbonylbutanenitrile Openeye Name: 2-(4-methoxy-3-nitro-benzoyl)butanenitrile CAS Name: 2-[(4-methoxy-3-nitrophenyl)-oxomethyl]butanenitrile IUPAC Name: 2-(4-methoxy-3-nitrobenzoyl)butanenitrile Traditional Name: 2-(4-methoxy-3-nitro-benzoyl)butyronitrile Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4/c1-3-8(7-13)12(15)9-4-5-11(18-2)10(6-9)14(16)17/h4-6,8H,3H2,1-2H3