2-[4-bromanyl-3-methoxy-6-nitro-2-(oxiran-2-ylmethyl)phenyl]ethanenitrile

Systemtic Name: 2-[4-bromanyl-3-methoxy-6-nitro-2-(oxiran-2-ylmethyl)phenyl]ethanenitrile Openeye Name: 2-[4-bromo-3-methoxy-6-nitro-2-(oxiran-2-ylmethyl)phenyl]acetonitrile CAS Name: 2-[4-bromo-3-methoxy-6-nitro-2-(2-oxiranylmethyl)phenyl]acetonitrile IUPAC Name: 2-[4-bromo-3-methoxy-6-nitro-2-(oxiran-2-ylmethyl)phenyl]acetonitrile Traditional Name: 2-(4-bromo-2-glycidyl-3-methoxy-6-nitro-phenyl)acetonitrile Formula: C12H11BrN2O4 MolecularWeight: 327.13074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1CC2CO2)CC#N)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C(=C1CC2CO2)CC#N)[N+](=O)[O-])Br

InChI

InChI=1S/C12H11BrN2O4/c1-18-12-9(4-7-6-19-7)8(2-3-14)11(15(16)17)5-10(12)13/h5,7H,2,4,6H2,1H3