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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)C2=CC(=C(C=C2)O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)C2=CC(=C(C=C2)O)O)C)[N+](=O)[O-]

InChI

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