3-[[3-(2-hydroxyethyl)-5-nitro-imidazol-4-yl]amino]benzoic acid

Systemtic Name: 3-[[3-(2-hydroxyethyl)-5-nitro-imidazol-4-yl]amino]benzoic acid Openeye Name: 3-[[3-(2-hydroxyethyl)-5-nitro-imidazol-4-yl]amino]benzoic acid CAS Name: 3-[[3-(2-hydroxyethyl)-5-nitro-4-imidazolyl]amino]benzoic acid IUPAC Name: 3-[[3-(2-hydroxyethyl)-5-nitroimidazol-4-yl]amino]benzoic acid Traditional Name: 3-[[3-(2-hydroxyethyl)-5-nitro-imidazol-4-yl]amino]benzoic acid Formula: C12H12N4O5 MolecularWeight: 292.24748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(N=CN2CCO)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(N=CN2CCO)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H12N4O5/c17-5-4-15-7-13-10(16(20)21)11(15)14-9-3-1-2-8(6-9)12(18)19/h1-3,6-7,14,17H,4-5H2,(H,18,19)