2-[3,5-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)sulfonyl-phenoxy]ethanoic acid

Systemtic Name: 2-[3,5-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)sulfonyl-phenoxy]ethanoic acid Openeye Name: 2-[3,5-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)sulfonyl-phenoxy]acetic acid CAS Name: 2-[3,5-dimethyl-4-[(3-methyl-5-nitro-4-imidazolyl)sulfonyl]phenoxy]acetic acid IUPAC Name: 2-[3,5-dimethyl-4-(3-methyl-5-nitroimidazol-4-yl)sulfonylphenoxy]acetic acid Traditional Name: 2-[3,5-dimethyl-4-(3-methyl-5-nitro-imidazol-4-yl)sulfonyl-phenoxy]acetic acid Formula: C14H15N3O7S MolecularWeight: 369.3498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)C2=C(N=CN2C)[N+](=O)[O-])C)OCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C2=C(N=CN2C)[N+](=O)[O-])C)OCC(=O)O

InChI

InChI=1S/C14H15N3O7S/c1-8-4-10(24-6-11(18)19)5-9(2)12(8)25(22,23)14-13(17(20)21)15-7-16(14)3/h4-5,7H,6H2,1-3H3,(H,18,19)