4-[2-(4-nitropyrazol-1-yl)ethoxy]benzoic acid

Systemtic Name: 4-[2-(4-nitropyrazol-1-yl)ethoxy]benzoic acid Openeye Name: 4-[2-(4-nitropyrazol-1-yl)ethoxy]benzoic acid CAS Name: 4-[2-(4-nitro-1-pyrazolyl)ethoxy]benzoic acid IUPAC Name: 4-[2-(4-nitropyrazol-1-yl)ethoxy]benzoic acid Traditional Name: 4-[2-(4-nitropyrazol-1-yl)ethoxy]benzoic acid Formula: C12H11N3O5 MolecularWeight: 277.23284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OCCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OCCN2C=C(C=N2)[N+](=O)[O-]

InChI

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