methyl 4-iodanyl-3-methyl-5-nitro-benzoate

Systemtic Name: methyl 4-iodanyl-3-methyl-5-nitro-benzoate Openeye Name: methyl 4-iodo-3-methyl-5-nitro-benzoate CAS Name: 4-iodo-3-methyl-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-iodo-3-methyl-5-nitrobenzoate Traditional Name: 4-iodo-3-methyl-5-nitro-benzoic acid methyl ester Formula: C9H8INO4 MolecularWeight: 321.06859

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)OC)[N+](=O)[O-])I

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)OC)[N+](=O)[O-])I

InChI

InChI=1S/C9H8INO4/c1-5-3-6(9(12)15-2)4-7(8(5)10)11(13)14/h3-4H,1-2H3