[2-methoxy-4-[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]phenyl] 2-nitrobenzoate

Systemtic Name: [2-methoxy-4-[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]phenyl] 2-nitrobenzoate Openeye Name: [2-methoxy-4-[3-(trifluoromethyl)-4,5-dihydroisoxazol-5-yl]phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-methoxy-4-[3-(trifluoromethyl)-4,5-dihydroisoxazol-5-yl]phenyl] ester IUPAC Name: [2-methoxy-4-[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]phenyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-methoxy-4-[3-(trifluoromethyl)-2-isoxazolin-5-yl]phenyl] ester Formula: C18H13F3N2O6 MolecularWeight: 410.30083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2CC(=NO2)C(F)(F)F)OC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2CC(=NO2)C(F)(F)F)OC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H13F3N2O6/c1-27-15-8-10(14-9-16(22-29-14)18(19,20)21)6-7-13(15)28-17(24)11-4-2-3-5-12(11)23(25)26/h2-8,14H,9H2,1H3