2-[[3,5-bis(trichloromethyl)phenoxy]methyl]-1-methyl-5-nitro-imidazole

Systemtic Name: 2-[[3,5-bis(trichloromethyl)phenoxy]methyl]-1-methyl-5-nitro-imidazole Openeye Name: 2-[[3,5-bis(trichloromethyl)phenoxy]methyl]-1-methyl-5-nitro-imidazole CAS Name: 2-[[3,5-bis(trichloromethyl)phenoxy]methyl]-1-methyl-5-nitroimidazole IUPAC Name: 2-[[3,5-bis(trichloromethyl)phenoxy]methyl]-1-methyl-5-nitroimidazole Traditional Name: 2-[[3,5-bis(trichloromethyl)phenoxy]methyl]-1-methyl-5-nitro-imidazole Formula: C13H9Cl6N3O3 MolecularWeight: 467.94686

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC2=CC(=CC(=C2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1COC2=CC(=CC(=C2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H9Cl6N3O3/c1-21-10(20-5-11(21)22(23)24)6-25-9-3-7(12(14,15)16)2-8(4-9)13(17,18)19/h2-5H,6H2,1H3