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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(3-fluoranyl-4-methoxy-phenyl)ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(3-fluoro-4-methoxy-phenyl)ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-(3-fluoro-4-methoxyphenyl)ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(3-fluoro-4-methoxy-phenyl)ethanone Formula: C14H14FN3O4 MolecularWeight: 307.277063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14FN3O4/c1-8-14(18(20)21)9(2)17(16-8)7-12(19)10-4-5-13(22-3)11(15)6-10/h4-6H,7H2,1-3H3