[3-(trifluoromethyl)phenyl]methyl 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [3-(trifluoromethyl)benzyl] ester Formula: C18H16F3NO6 MolecularWeight: 399.31795

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=CC(=CC=C2)C(F)(F)F)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=CC(=CC=C2)C(F)(F)F)OC

InChI

InChI=1S/C18H16F3NO6/c1-3-27-16-9-14(22(24)25)13(8-15(16)26-2)17(23)28-10-11-5-4-6-12(7-11)18(19,20)21/h4-9H,3,10H2,1-2H3