2-(2-methyl-4-nitro-imidazol-1-yl)-2-phenyl-ethanoic acid

Systemtic Name: 2-(2-methyl-4-nitro-imidazol-1-yl)-2-phenyl-ethanoic acid Openeye Name: 2-(2-methyl-4-nitro-imidazol-1-yl)-2-phenyl-acetic acid CAS Name: 2-(2-methyl-4-nitro-1-imidazolyl)-2-phenylacetic acid IUPAC Name: 2-(2-methyl-4-nitroimidazol-1-yl)-2-phenylacetic acid Traditional Name: 2-(2-methyl-4-nitro-imidazol-1-yl)-2-phenyl-acetic acid Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1C(C2=CC=CC=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1C(C2=CC=CC=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4/c1-8-13-10(15(18)19)7-14(8)11(12(16)17)9-5-3-2-4-6-9/h2-7,11H,1H3,(H,16,17)