1-(6-nitro-1,3-benzodioxol-5-yl)hept-2-yn-1-ol

Systemtic Name: 1-(6-nitro-1,3-benzodioxol-5-yl)hept-2-yn-1-ol Openeye Name: 1-(6-nitro-1,3-benzodioxol-5-yl)hept-2-yn-1-ol CAS Name: 1-(6-nitro-1,3-benzodioxol-5-yl)-2-heptyn-1-ol IUPAC Name: 1-(6-nitro-1,3-benzodioxol-5-yl)hept-2-yn-1-ol Traditional Name: 1-(6-nitro-1,3-benzodioxol-5-yl)hept-2-yn-1-ol Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)O

Isomeric SMILES

CCCCC#CC(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)O

InChI

InChI=1S/C14H15NO5/c1-2-3-4-5-6-12(16)10-7-13-14(20-9-19-13)8-11(10)15(17)18/h7-8,12,16H,2-4,9H2,1H3