2-[1-(4-nitrophenyl)-5-oxidanylidene-4H-pyrazol-3-yl]butanoic acid

Systemtic Name: 2-[1-(4-nitrophenyl)-5-oxidanylidene-4H-pyrazol-3-yl]butanoic acid Openeye Name: 2-[1-(4-nitrophenyl)-5-oxo-4H-pyrazol-3-yl]butanoic acid CAS Name: 2-[1-(4-nitrophenyl)-5-oxo-4H-pyrazol-3-yl]butanoic acid IUPAC Name: 2-[1-(4-nitrophenyl)-5-oxo-4H-pyrazol-3-yl]butanoic acid Traditional Name: 2-[5-keto-1-(4-nitrophenyl)-2-pyrazolin-3-yl]butyric acid Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O5/c1-2-10(13(18)19)11-7-12(17)15(14-11)8-3-5-9(6-4-8)16(20)21/h3-6,10H,2,7H2,1H3,(H,18,19)