3-(dinitromethyl)benzenecarbonitrile

Systemtic Name: 3-(dinitromethyl)benzenecarbonitrile Openeye Name: 3-(dinitromethyl)benzonitrile CAS Name: 3-(dinitromethyl)benzonitrile IUPAC Name: 3-(dinitromethyl)benzonitrile Traditional Name: 3-(dinitromethyl)benzonitrile Formula: C8H5N3O4 MolecularWeight: 207.143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H5N3O4/c9-5-6-2-1-3-7(4-6)8(10(12)13)11(14)15/h1-4,8H