(4-bromanyl-2-fluoranyl-phenyl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (4-bromo-2-fluoro-benzyl) ester Formula: C14H13BrFN3O4 MolecularWeight: 386.173123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC2=C(C=C(C=C2)Br)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC2=C(C=C(C=C2)Br)F)C)[N+](=O)[O-]

InChI

InChI=1S/C14H13BrFN3O4/c1-8-14(19(21)22)9(2)18(17-8)6-13(20)23-7-10-3-4-11(15)5-12(10)16/h3-5H,6-7H2,1-2H3