1-[5-nitro-2-(1-oxidanylpropyl)-1-benzofuran-7-yl]pent-1-yn-3-ol

Systemtic Name: 1-[5-nitro-2-(1-oxidanylpropyl)-1-benzofuran-7-yl]pent-1-yn-3-ol Openeye Name: 1-[2-(1-hydroxypropyl)-5-nitro-benzofuran-7-yl]pent-1-yn-3-ol CAS Name: 1-[2-(1-hydroxypropyl)-5-nitro-7-benzofuranyl]-1-pentyn-3-ol IUPAC Name: 1-[2-(1-hydroxypropyl)-5-nitro-1-benzofuran-7-yl]pent-1-yn-3-ol Traditional Name: 1-[2-(1-hydroxypropyl)-5-nitro-benzofuran-7-yl]pent-1-yn-3-ol Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC1=CC(=CC2=C1OC(=C2)C(CC)O)[N+](=O)[O-])O

Isomeric SMILES

CCC(C#CC1=CC(=CC2=C1OC(=C2)C(CC)O)[N+](=O)[O-])O

InChI

InChI=1S/C16H17NO5/c1-3-13(18)6-5-10-7-12(17(20)21)8-11-9-15(14(19)4-2)22-16(10)11/h7-9,13-14,18-19H,3-4H2,1-2H3