[5-cyclopropyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-4-yl] ethanoate

Systemtic Name: [5-cyclopropyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-4-yl] ethanoate Openeye Name: [5-cyclopropyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]methyl]isoxazol-4-yl] acetate CAS Name: acetic acid [5-cyclopropyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]methyl]-4-isoxazolyl] ester IUPAC Name: [5-cyclopropyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-4-yl] acetate Traditional Name: acetic acid [5-cyclopropyl-3-[2-nitro-4-(trifluoromethyl)benzyl]isoxazol-4-yl] ester Formula: C16H13F3N2O5 MolecularWeight: 370.28003

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(ON=C1CC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3CC3

Isomeric SMILES

CC(=O)OC1=C(ON=C1CC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3CC3

InChI

InChI=1S/C16H13F3N2O5/c1-8(22)25-15-12(20-26-14(15)9-2-3-9)6-10-4-5-11(16(17,18)19)7-13(10)21(23)24/h4-5,7,9H,2-3,6H2,1H3