2-(2-ethoxycarbonyl-6-nitro-benzimidazol-1-yl)oxyethanoic acid

Systemtic Name: 2-(2-ethoxycarbonyl-6-nitro-benzimidazol-1-yl)oxyethanoic acid Openeye Name: 2-(2-ethoxycarbonyl-6-nitro-benzimidazol-1-yl)oxyacetic acid CAS Name: 2-[(2-ethoxycarbonyl-6-nitro-1-benzimidazolyl)oxy]acetic acid IUPAC Name: 2-(2-ethoxycarbonyl-6-nitrobenzimidazol-1-yl)oxyacetic acid Traditional Name: 2-(2-carbethoxy-6-nitro-benzimidazol-1-yl)oxyacetic acid Formula: C12H11N3O7 MolecularWeight: 309.23164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(N1OCC(=O)O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NC2=C(N1OCC(=O)O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O7/c1-2-21-12(18)11-13-8-4-3-7(15(19)20)5-9(8)14(11)22-6-10(16)17/h3-5H,2,6H2,1H3,(H,16,17)