1-tert-butyl-4-ethynyl-2-nitro-benzene

Systemtic Name: 1-tert-butyl-4-ethynyl-2-nitro-benzene Openeye Name: 1-tert-butyl-4-ethynyl-2-nitro-benzene CAS Name: 1-tert-butyl-4-ethynyl-2-nitrobenzene IUPAC Name: 1-tert-butyl-4-ethynyl-2-nitrobenzene Traditional Name: 1-tert-butyl-4-ethynyl-2-nitro-benzene Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO2/c1-5-9-6-7-10(12(2,3)4)11(8-9)13(14)15/h1,6-8H,2-4H3