3-iodanylprop-2-ynyl 3-nitrobenzoate

Systemtic Name: 3-iodanylprop-2-ynyl 3-nitrobenzoate Openeye Name: 3-iodoprop-2-ynyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 3-iodoprop-2-ynyl ester IUPAC Name: 3-iodoprop-2-ynyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 3-iodoprop-2-ynyl ester Formula: C10H6INO4 MolecularWeight: 331.06341

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC#CI

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC#CI

InChI

InChI=1S/C10H6INO4/c11-5-2-6-16-10(13)8-3-1-4-9(7-8)12(14)15/h1,3-4,7H,6H2