2,5-bis(oxidanyl)benzoic acid; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol

Systemtic Name: 2,5-bis(oxidanyl)benzoic acid; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol Openeye Name: 2,5-dihydroxybenzoic acid; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol CAS Name: 2,5-dihydroxybenzoic acid; 2-(2-methyl-5-nitro-1-imidazolyl)ethanol IUPAC Name: 2,5-dihydroxybenzoic acid; 2-(2-methyl-5-nitroimidazol-1-yl)ethanol Traditional Name: gentisic acid; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol Formula: C13H15N3O7 MolecularWeight: 325.2741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCO)[N+](=O)[O-].C1=CC(=C(C=C1O)C(=O)O)O

Isomeric SMILES

CC1=NC=C(N1CCO)[N+](=O)[O-].C1=CC(=C(C=C1O)C(=O)O)O

InChI

InChI=1S/C7H6O4.C6H9N3O3/c8-4-1-2-6(9)5(3-4)7(10)11;1-5-7-4-6(9(11)12)8(5)2-3-10/h1-3,8-9H,(H,10,11);4,10H,2-3H2,1H3