2-(2-methyl-5-nitro-imidazol-1-yl)ethanol benzoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol benzoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol benzoate CAS Name: 2-(2-methyl-5-nitro-1-imidazolyl)ethanol benzoate IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol benzoate Traditional Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol benzoate Formula: C13H14N3O5- MolecularWeight: 292.26736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O2.C6H9N3O3/c8-7(9)6-4-2-1-3-5-6;1-5-7-4-6(9(11)12)8(5)2-3-10/h1-5H,(H,8,9);4,10H,2-3H2,1H3/p-1