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

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

Click to see the large picture

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