5-tert-butyl-2-methyl-4-nitro-benzenecarbonitrile

Systemtic Name: 5-tert-butyl-2-methyl-4-nitro-benzenecarbonitrile Openeye Name: 5-tert-butyl-2-methyl-4-nitro-benzonitrile CAS Name: 5-tert-butyl-2-methyl-4-nitrobenzonitrile IUPAC Name: 5-tert-butyl-2-methyl-4-nitrobenzonitrile Traditional Name: 5-tert-butyl-2-methyl-4-nitro-benzonitrile Formula: C12H14N2O2 MolecularWeight: 218.25176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#N)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1C#N)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O2/c1-8-5-11(14(15)16)10(12(2,3)4)6-9(8)7-13/h5-6H,1-4H3