1-[2-ethanoyl-3,6-bis(oxidanyl)phenyl]-3,5-dimethyl-N-oxidanyl-pyrazol-4-amine oxide

Systemtic Name: 1-[2-ethanoyl-3,6-bis(oxidanyl)phenyl]-3,5-dimethyl-N-oxidanyl-pyrazol-4-amine oxide Openeye Name: 1-(2-acetyl-3,6-dihydroxy-phenyl)-N-hydroxy-3,5-dimethyl-pyrazol-4-amine oxide CAS Name: 1-(2-acetyl-3,6-dihydroxyphenyl)-N-hydroxy-3,5-dimethyl-4-pyrazolamine oxide IUPAC Name: 1-(2-acetyl-3,6-dihydroxyphenyl)-N-hydroxy-3,5-dimethylpyrazol-4-amine oxide Traditional Name: 1-(2-acetyl-3,6-dihydroxy-phenyl)-N-hydroxy-3,5-dimethyl-pyrazol-4-amine oxide Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=NN1C2=C(C=CC(=C2C(=O)C)O)O)C)[NH+](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/h4-5,16,18-20H,1-3H3