2-(2-methyl-4-nitro-6-propanoyl-phenoxy)ethanenitrile

Systemtic Name: 2-(2-methyl-4-nitro-6-propanoyl-phenoxy)ethanenitrile Openeye Name: 2-(2-methyl-4-nitro-6-propanoyl-phenoxy)acetonitrile CAS Name: 2-[2-methyl-4-nitro-6-(1-oxopropyl)phenoxy]acetonitrile IUPAC Name: 2-(2-methyl-4-nitro-6-propanoylphenoxy)acetonitrile Traditional Name: 2-(2-methyl-4-nitro-6-propionyl-phenoxy)acetonitrile Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=CC(=C1OCC#N)C)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)C1=CC(=CC(=C1OCC#N)C)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O4/c1-3-11(15)10-7-9(14(16)17)6-8(2)12(10)18-5-4-13/h6-7H,3,5H2,1-2H3