methyl 3-(4-iodanyl-2-nitro-phenoxy)-2,2-dimethyl-propanoate

Systemtic Name: methyl 3-(4-iodanyl-2-nitro-phenoxy)-2,2-dimethyl-propanoate Openeye Name: methyl 3-(4-iodo-2-nitro-phenoxy)-2,2-dimethyl-propanoate CAS Name: 3-(4-iodo-2-nitrophenoxy)-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl 3-(4-iodo-2-nitrophenoxy)-2,2-dimethylpropanoate Traditional Name: 3-(4-iodo-2-nitro-phenoxy)-2,2-dimethyl-propionic acid methyl ester Formula: C12H14INO5 MolecularWeight: 379.14773

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC1=C(C=C(C=C1)I)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(COC1=C(C=C(C=C1)I)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C12H14INO5/c1-12(2,11(15)18-3)7-19-10-5-4-8(13)6-9(10)14(16)17/h4-6H,7H2,1-3H3