1-(3-nitrophenyl)-5-oxidanylidene-4H-pyrazole-3-carboxylic acid

Systemtic Name: 1-(3-nitrophenyl)-5-oxidanylidene-4H-pyrazole-3-carboxylic acid Openeye Name: 1-(3-nitrophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid CAS Name: 1-(3-nitrophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid IUPAC Name: 1-(3-nitrophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid Traditional Name: 5-keto-1-(3-nitrophenyl)-2-pyrazoline-3-carboxylic acid Formula: C10H7N3O5 MolecularWeight: 249.17968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C(=NN(C1=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H7N3O5/c14-9-5-8(10(15)16)11-12(9)6-2-1-3-7(4-6)13(17)18/h1-4H,5H2,(H,15,16)