3-methyl-1-(4-nitrophenyl)pent-1-yn-3-ol

Systemtic Name: 3-methyl-1-(4-nitrophenyl)pent-1-yn-3-ol Openeye Name: 3-methyl-1-(4-nitrophenyl)pent-1-yn-3-ol CAS Name: 3-methyl-1-(4-nitrophenyl)-1-pentyn-3-ol IUPAC Name: 3-methyl-1-(4-nitrophenyl)pent-1-yn-3-ol Traditional Name: 3-methyl-1-(4-nitrophenyl)pent-1-yn-3-ol Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3/c1-3-12(2,14)9-8-10-4-6-11(7-5-10)13(15)16/h4-7,14H,3H2,1-2H3