3-[4-[bis(oxidanyl)amino]-3,5-dimethyl-pyrazol-1-yl]-2-ethanoyl-4-oxidanyl-phenolate

Systemtic Name: 3-[4-[bis(oxidanyl)amino]-3,5-dimethyl-pyrazol-1-yl]-2-ethanoyl-4-oxidanyl-phenolate Openeye Name: 2-acetyl-3-[4-(dihydroxyamino)-3,5-dimethyl-pyrazol-1-yl]-4-hydroxy-phenolate CAS Name: 2-acetyl-3-[4-(dihydroxyamino)-3,5-dimethyl-1-pyrazolyl]-4-hydroxyphenolate IUPAC Name: 2-acetyl-3-[4-(dihydroxyamino)-3,5-dimethylpyrazol-1-yl]-4-hydroxyphenolate Traditional Name: 2-acetyl-3-[4-(dihydroxyamino)-3,5-dimethyl-pyrazol-1-yl]-4-hydroxy-phenolate Formula: C13H14N3O5- MolecularWeight: 292.26736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=C(C=CC(=C2C(=O)C)[O-])O)C)N(O)O

Isomeric SMILES

CC1=C(C(=NN1C2=C(C=CC(=C2C(=O)C)[O-])O)C)N(O)O

InChI

InChI=1S/C13H15N3O5/c1-6-12(16(20)21)7(2)15(14-6)13-10(19)5-4-9(18)11(13)8(3)17/h4-5,18-21H,1-3H3/p-1