1-(3,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Openeye Name: 1-(3,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone CAS Name: 1-(3,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone Traditional Name: 1-(3,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O5/c1-9-15(18(20)21)10(2)17(16-9)8-12(19)11-5-6-13(22-3)14(7-11)23-4/h5-7H,8H2,1-4H3