1-[2-(4-nitrophenyl)ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[2-(4-nitrophenyl)ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-(4-nitrophenyl)ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-(4-nitrophenyl)ethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-(4-nitrophenyl)ethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-(4-nitrophenyl)ethyl]pyrazole-4-carboxylic acid Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCN2C=C(C=N2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCN2C=C(C=N2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4/c16-12(17)10-7-13-14(8-10)6-5-9-1-3-11(4-2-9)15(18)19/h1-4,7-8H,5-6H2,(H,16,17)