2,6-dimethyl-3-nitro-benzenecarbonitrile

Systemtic Name: 2,6-dimethyl-3-nitro-benzenecarbonitrile Openeye Name: 2,6-dimethyl-3-nitro-benzonitrile CAS Name: 2,6-dimethyl-3-nitrobenzonitrile IUPAC Name: 2,6-dimethyl-3-nitrobenzonitrile Traditional Name: 2,6-dimethyl-3-nitro-benzonitrile Formula: C9H8N2O2 MolecularWeight: 176.17202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])C)C#N

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])C)C#N

InChI

InChI=1S/C9H8N2O2/c1-6-3-4-9(11(12)13)7(2)8(6)5-10/h3-4H,1-2H3