1-iodanylprop-1-yne; 8-nitro-4H-1,3-benzodioxin-2-one

Systemtic Name: 1-iodanylprop-1-yne; 8-nitro-4H-1,3-benzodioxin-2-one Openeye Name: 1-iodoprop-1-yne; 8-nitro-4H-1,3-benzodioxin-2-one CAS Name: 1-iodo-1-propyne; 8-nitro-4H-1,3-benzodioxin-2-one IUPAC Name: 1-iodoprop-1-yne; 8-nitro-4H-1,3-benzodioxin-2-one Traditional Name: 1-iodoprop-1-yne; 8-nitro-4H-1,3-benzodioxin-2-one Formula: C11H8INO5 MolecularWeight: 361.08939

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Descriptors Computed from Structure

Canonical SMILES:

CC#CI.C1C2=C(C(=CC=C2)[N+](=O)[O-])OC(=O)O1

Isomeric SMILES

CC#CI.C1C2=C(C(=CC=C2)[N+](=O)[O-])OC(=O)O1

InChI

InChI=1S/C8H5NO5.C3H3I/c10-8-13-4-5-2-1-3-6(9(11)12)7(5)14-8;1-2-3-4/h1-3H,4H2;1H3