5-(3-fluoranyl-4-methoxy-5-nitro-phenyl)pent-4-yn-1-ol

Systemtic Name: 5-(3-fluoranyl-4-methoxy-5-nitro-phenyl)pent-4-yn-1-ol Openeye Name: 5-(3-fluoro-4-methoxy-5-nitro-phenyl)pent-4-yn-1-ol CAS Name: 5-(3-fluoro-4-methoxy-5-nitrophenyl)-4-pentyn-1-ol IUPAC Name: 5-(3-fluoro-4-methoxy-5-nitrophenyl)pent-4-yn-1-ol Traditional Name: 5-(3-fluoro-4-methoxy-5-nitro-phenyl)pent-4-yn-1-ol Formula: C12H12FNO4 MolecularWeight: 253.226383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1F)C#CCCCO)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1F)C#CCCCO)[N+](=O)[O-]

InChI

InChI=1S/C12H12FNO4/c1-18-12-10(13)7-9(5-3-2-4-6-15)8-11(12)14(16)17/h7-8,15H,2,4,6H2,1H3