5-(2-methyl-4-nitro-phenyl)pent-4-yn-1-ol

Systemtic Name: 5-(2-methyl-4-nitro-phenyl)pent-4-yn-1-ol Openeye Name: 5-(2-methyl-4-nitro-phenyl)pent-4-yn-1-ol CAS Name: 5-(2-methyl-4-nitrophenyl)-4-pentyn-1-ol IUPAC Name: 5-(2-methyl-4-nitrophenyl)pent-4-yn-1-ol Traditional Name: 5-(2-methyl-4-nitro-phenyl)pent-4-yn-1-ol Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3/c1-10-9-12(13(15)16)7-6-11(10)5-3-2-4-8-14/h6-7,9,14H,2,4,8H2,1H3