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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-phenyl-ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-phenyl-ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-phenylethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-phenylethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-phenyl-ethanone Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O3/c1-9-13(16(18)19)10(2)15(14-9)8-12(17)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3