3-iodanylprop-2-ynyl 2-methyl-6-nitro-benzoate

Systemtic Name: 3-iodanylprop-2-ynyl 2-methyl-6-nitro-benzoate Openeye Name: 3-iodoprop-2-ynyl 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid 3-iodoprop-2-ynyl ester IUPAC Name: 3-iodoprop-2-ynyl 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid 3-iodoprop-2-ynyl ester Formula: C11H8INO4 MolecularWeight: 345.08999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC#CI

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC#CI

InChI

InChI=1S/C11H8INO4/c1-8-4-2-5-9(13(15)16)10(8)11(14)17-7-3-6-12/h2,4-5H,7H2,1H3