2-(4-methoxy-2,6-dinitro-3-oxidanyl-phenyl)ethanenitrile

Systemtic Name: 2-(4-methoxy-2,6-dinitro-3-oxidanyl-phenyl)ethanenitrile Openeye Name: 2-(3-hydroxy-4-methoxy-2,6-dinitro-phenyl)acetonitrile CAS Name: 2-(3-hydroxy-4-methoxy-2,6-dinitrophenyl)acetonitrile IUPAC Name: 2-(3-hydroxy-4-methoxy-2,6-dinitrophenyl)acetonitrile Traditional Name: 2-(3-hydroxy-4-methoxy-2,6-dinitro-phenyl)acetonitrile Formula: C9H7N3O6 MolecularWeight: 253.16838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)[N+](=O)[O-])CC#N)[N+](=O)[O-])O

Isomeric SMILES

COC1=C(C(=C(C(=C1)[N+](=O)[O-])CC#N)[N+](=O)[O-])O

InChI

InChI=1S/C9H7N3O6/c1-18-7-4-6(11(14)15)5(2-3-10)8(9(7)13)12(16)17/h4,13H,2H2,1H3