3-iodanyl-4-methoxy-5-nitro-benzenecarbonitrile

Systemtic Name: 3-iodanyl-4-methoxy-5-nitro-benzenecarbonitrile Openeye Name: 3-iodo-4-methoxy-5-nitro-benzonitrile CAS Name: 3-iodo-4-methoxy-5-nitrobenzonitrile IUPAC Name: 3-iodo-4-methoxy-5-nitrobenzonitrile Traditional Name: 3-iodo-4-methoxy-5-nitro-benzonitrile Formula: C8H5IN2O3 MolecularWeight: 304.04137

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1I)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1I)C#N)[N+](=O)[O-]

InChI

InChI=1S/C8H5IN2O3/c1-14-8-6(9)2-5(4-10)3-7(8)11(12)13/h2-3H,1H3