1-(3,3-dimethylbut-1-ynyl)-4-nitro-benzene

Systemtic Name: 1-(3,3-dimethylbut-1-ynyl)-4-nitro-benzene Openeye Name: 1-(3,3-dimethylbut-1-ynyl)-4-nitro-benzene CAS Name: 1-(3,3-dimethylbut-1-ynyl)-4-nitrobenzene IUPAC Name: 1-(3,3-dimethylbut-1-ynyl)-4-nitrobenzene Traditional Name: 1-(3,3-dimethylbut-1-ynyl)-4-nitro-benzene Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO2/c1-12(2,3)9-8-10-4-6-11(7-5-10)13(14)15/h4-7H,1-3H3