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

Systemtic Name: methyl 4-iodanyl-3-nitro-5-phenylmethoxy-benzoate Openeye Name: methyl 3-benzyloxy-4-iodo-5-nitro-benzoate CAS Name: 4-iodo-3-nitro-5-phenylmethoxybenzoic acid methyl ester IUPAC Name: methyl 4-iodo-3-nitro-5-phenylmethoxybenzoate Traditional Name: 3-benzoxy-4-iodo-5-nitro-benzoic acid methyl ester Formula: C15H12INO5 MolecularWeight: 413.16395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)I)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)I)[N+](=O)[O-]

InChI

InChI=1S/C15H12INO5/c1-21-15(18)11-7-12(17(19)20)14(16)13(8-11)22-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3