1-ethyl-3-(4-nitrophenyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-ethyl-3-(4-nitrophenyl)pyrazole-4-carboxylic acid Openeye Name: 1-ethyl-3-(4-nitrophenyl)pyrazole-4-carboxylic acid CAS Name: 1-ethyl-3-(4-nitrophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-ethyl-3-(4-nitrophenyl)pyrazole-4-carboxylic acid Traditional Name: 1-ethyl-3-(4-nitrophenyl)pyrazole-4-carboxylic acid Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCN1C=C(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H11N3O4/c1-2-14-7-10(12(16)17)11(13-14)8-3-5-9(6-4-8)15(18)19/h3-7H,2H2,1H3,(H,16,17)