2-(5-azanyl-2-iodanyl-4-nitro-phenyl)ethanenitrile

Systemtic Name: 2-(5-azanyl-2-iodanyl-4-nitro-phenyl)ethanenitrile Openeye Name: 2-(5-amino-2-iodo-4-nitro-phenyl)acetonitrile CAS Name: 2-(5-amino-2-iodo-4-nitrophenyl)acetonitrile IUPAC Name: 2-(5-amino-2-iodo-4-nitrophenyl)acetonitrile Traditional Name: 2-(5-amino-2-iodo-4-nitro-phenyl)acetonitrile Formula: C8H6IN3O2 MolecularWeight: 303.05661

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1N)[N+](=O)[O-])I)CC#N

Isomeric SMILES

C1=C(C(=CC(=C1N)[N+](=O)[O-])I)CC#N

InChI

InChI=1S/C8H6IN3O2/c9-6-4-8(12(13)14)7(11)3-5(6)1-2-10/h3-4H,1,11H2