2,4-dimethyl-3-nitro-benzenecarbonitrile

Systemtic Name: 2,4-dimethyl-3-nitro-benzenecarbonitrile Openeye Name: 2,4-dimethyl-3-nitro-benzonitrile CAS Name: 2,4-dimethyl-3-nitrobenzonitrile IUPAC Name: 2,4-dimethyl-3-nitrobenzonitrile Traditional Name: 2,4-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)C#N)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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