1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-3,6-bis(oxidanyl)phenyl]ethanone

Systemtic Name: 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-3,6-bis(oxidanyl)phenyl]ethanone Openeye Name: 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-3,6-dihydroxy-phenyl]ethanone CAS Name: 1-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-3,6-dihydroxyphenyl]ethanone IUPAC Name: 1-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)-3,6-dihydroxyphenyl]ethanone Traditional Name: 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-3,6-dihydroxy-phenyl]ethanone Formula: C13H13N3O5 MolecularWeight: 291.25942

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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/C13H13N3O5/c1-6-12(16(20)21)7(2)15(14-6)13-10(19)5-4-9(18)11(13)8(3)17/h4-5,18-19H,1-3H3