1-methyl-2-[(3-methylsulfonylphenoxy)methyl]-5-nitro-imidazole

Systemtic Name: 1-methyl-2-[(3-methylsulfonylphenoxy)methyl]-5-nitro-imidazole Openeye Name: 1-methyl-2-[(3-methylsulfonylphenoxy)methyl]-5-nitro-imidazole CAS Name: 1-methyl-2-[(3-methylsulfonylphenoxy)methyl]-5-nitroimidazole IUPAC Name: 1-methyl-2-[(3-methylsulfonylphenoxy)methyl]-5-nitroimidazole Traditional Name: 2-[(3-mesylphenoxy)methyl]-1-methyl-5-nitro-imidazole Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O5S/c1-14-11(13-7-12(14)15(16)17)8-20-9-4-3-5-10(6-9)21(2,18)19/h3-7H,8H2,1-2H3