1-(5-but-3-yn-2-yloxy-4-chloranyl-2-fluoranyl-phenyl)-3,5-dimethyl-4-nitro-pyrazole

Systemtic Name: 1-(5-but-3-yn-2-yloxy-4-chloranyl-2-fluoranyl-phenyl)-3,5-dimethyl-4-nitro-pyrazole Openeye Name: 1-[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]-3,5-dimethyl-4-nitro-pyrazole CAS Name: 1-(5-but-3-yn-2-yloxy-4-chloro-2-fluorophenyl)-3,5-dimethyl-4-nitropyrazole IUPAC Name: 1-(5-but-3-yn-2-yloxy-4-chloro-2-fluorophenyl)-3,5-dimethyl-4-nitropyrazole Traditional Name: 1-[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]-3,5-dimethyl-4-nitro-pyrazole Formula: C15H13ClFN3O3 MolecularWeight: 337.733423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=C(C=C2F)Cl)OC(C)C#C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=C(C=C2F)Cl)OC(C)C#C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H13ClFN3O3/c1-5-8(2)23-14-7-13(12(17)6-11(14)16)19-10(4)15(20(21)22)9(3)18-19/h1,6-8H,2-4H3