[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C17H18FN3O5 MolecularWeight: 363.340323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18FN3O5/c1-11-17(21(24)25)12(2)20(19-11)10-16(23)26-9-3-4-15(22)13-5-7-14(18)8-6-13/h5-8H,3-4,9-10H2,1-2H3