1-(4-fluorophenyl)ethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: 1-(4-fluorophenyl)ethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: 1-(4-fluorophenyl)ethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid 1-(4-fluorophenyl)ethyl ester IUPAC Name: 1-(4-fluorophenyl)ethyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid 1-(4-fluorophenyl)ethyl ester Formula: C15H16FN3O4 MolecularWeight: 321.303643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16FN3O4/c1-9-15(19(21)22)10(2)18(17-9)8-14(20)23-11(3)12-4-6-13(16)7-5-12/h4-7,11H,8H2,1-3H3