3-(4-nitrophenyl)-1-(3-oxidanidyl-3-oxidanylidene-propyl)pyrazole-4-carboxylate

Systemtic Name: 3-(4-nitrophenyl)-1-(3-oxidanidyl-3-oxidanylidene-propyl)pyrazole-4-carboxylate Openeye Name: 3-(4-nitrophenyl)-1-(3-oxido-3-oxo-propyl)pyrazole-4-carboxylate CAS Name: 3-(4-nitrophenyl)-1-(3-oxido-3-oxopropyl)-4-pyrazolecarboxylate IUPAC Name: 3-(4-nitrophenyl)-1-(3-oxido-3-oxopropyl)pyrazole-4-carboxylate Traditional Name: 1-(3-keto-3-oxido-propyl)-3-(4-nitrophenyl)pyrazole-4-carboxylate Formula: C13H9N3O6-2 MolecularWeight: 303.22706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=C2C(=O)[O-])CCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=C2C(=O)[O-])CCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O6/c17-11(18)5-6-15-7-10(13(19)20)12(14-15)8-1-3-9(4-2-8)16(21)22/h1-4,7H,5-6H2,(H,17,18)(H,19,20)/p-2