4,5-dimethyl-2-nitro-benzenecarbonitrile

Systemtic Name: 4,5-dimethyl-2-nitro-benzenecarbonitrile Openeye Name: 4,5-dimethyl-2-nitro-benzonitrile CAS Name: 4,5-dimethyl-2-nitrobenzonitrile IUPAC Name: 4,5-dimethyl-2-nitrobenzonitrile Traditional Name: 4,5-dimethyl-2-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)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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