5-ethanoyl-1-(4-nitrophenyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-ethanoyl-1-(4-nitrophenyl)pyrazole-3-carboxylic acid Openeye Name: 5-acetyl-1-(4-nitrophenyl)pyrazole-3-carboxylic acid CAS Name: 5-acetyl-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-acetyl-1-(4-nitrophenyl)pyrazole-3-carboxylic acid Traditional Name: 5-acetyl-1-(4-nitrophenyl)pyrazole-3-carboxylic acid Formula: C12H9N3O5 MolecularWeight: 275.21696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)C1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H9N3O5/c1-7(16)11-6-10(12(17)18)13-14(11)8-2-4-9(5-3-8)15(19)20/h2-6H,1H3,(H,17,18)