1-methyl-2-(2-methylbut-3-yn-2-yloxy)-4-nitro-benzene

Systemtic Name: 1-methyl-2-(2-methylbut-3-yn-2-yloxy)-4-nitro-benzene Openeye Name: 2-(1,1-dimethylprop-2-ynoxy)-1-methyl-4-nitro-benzene CAS Name: 1-methyl-2-(2-methylbut-3-yn-2-yloxy)-4-nitrobenzene IUPAC Name: 1-methyl-2-(2-methylbut-3-yn-2-yloxy)-4-nitrobenzene Traditional Name: 2-(1,1-dimethylprop-2-ynoxy)-1-methyl-4-nitro-benzene Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3/c1-5-12(3,4)16-11-8-10(13(14)15)7-6-9(11)2/h1,6-8H,2-4H3