2-methoxy-4,6-dinitro-benzenecarbonitrile

Systemtic Name: 2-methoxy-4,6-dinitro-benzenecarbonitrile Openeye Name: 2-methoxy-4,6-dinitro-benzonitrile CAS Name: 2-methoxy-4,6-dinitrobenzonitrile IUPAC Name: 2-methoxy-4,6-dinitrobenzonitrile Traditional Name: 2-methoxy-4,6-dinitro-benzonitrile Formula: C8H5N3O5 MolecularWeight: 223.1424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1C#N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1C#N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H5N3O5/c1-16-8-3-5(10(12)13)2-7(11(14)15)6(8)4-9/h2-3H,1H3