2-(3-iodanyl-1,2,4-triazol-1-yl)-N-(2-methoxy-4-nitro-phenyl)ethanamide

Systemtic Name: 2-(3-iodanyl-1,2,4-triazol-1-yl)-N-(2-methoxy-4-nitro-phenyl)ethanamide Openeye Name: 2-(3-iodo-1,2,4-triazol-1-yl)-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: 2-(3-iodo-1,2,4-triazol-1-yl)-N-(2-methoxy-4-nitrophenyl)acetamide IUPAC Name: 2-(3-iodo-1,2,4-triazol-1-yl)-N-(2-methoxy-4-nitrophenyl)acetamide Traditional Name: 2-(3-iodo-1,2,4-triazol-1-yl)-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C11H10IN5O4 MolecularWeight: 403.13267

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2C=NC(=N2)I

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2C=NC(=N2)I

InChI

InChI=1S/C11H10IN5O4/c1-21-9-4-7(17(19)20)2-3-8(9)14-10(18)5-16-6-13-11(12)15-16/h2-4,6H,5H2,1H3,(H,14,18)