2-(2-imidazol-1-ylethoxy)-5-nitro-benzoic acid

Systemtic Name: 2-(2-imidazol-1-ylethoxy)-5-nitro-benzoic acid Openeye Name: 2-(2-imidazol-1-ylethoxy)-5-nitro-benzoic acid CAS Name: 2-[2-(1-imidazolyl)ethoxy]-5-nitrobenzoic acid IUPAC Name: 2-(2-imidazol-1-ylethoxy)-5-nitrobenzoic acid Traditional Name: 2-(2-imidazol-1-ylethoxy)-5-nitro-benzoic acid Formula: C12H11N3O5 MolecularWeight: 277.23284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)OCCN2C=CN=C2

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)OCCN2C=CN=C2

InChI

InChI=1S/C12H11N3O5/c16-12(17)10-7-9(15(18)19)1-2-11(10)20-6-5-14-4-3-13-8-14/h1-4,7-8H,5-6H2,(H,16,17)