(4-cyano-2-iodanyl-6-methoxy-phenyl) 3-nitrobenzoate

Systemtic Name: (4-cyano-2-iodanyl-6-methoxy-phenyl) 3-nitrobenzoate Openeye Name: (4-cyano-2-iodo-6-methoxy-phenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (4-cyano-2-iodo-6-methoxyphenyl) ester IUPAC Name: (4-cyano-2-iodo-6-methoxyphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4-cyano-2-iodo-6-methoxy-phenyl) ester Formula: C15H9IN2O5 MolecularWeight: 424.14683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C#N)I)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C#N)I)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H9IN2O5/c1-22-13-6-9(8-17)5-12(16)14(13)23-15(19)10-3-2-4-11(7-10)18(20)21/h2-7H,1H3