prop-1-ynyl 5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: prop-1-ynyl 5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: prop-1-ynyl 5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid prop-1-ynyl ester IUPAC Name: prop-1-ynyl 5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid prop-1-ynyl ester Formula: C18H9F3N2O5 MolecularWeight: 390.26967

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Descriptors Computed from Structure

Canonical SMILES:

CC#COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)C#N)[N+](=O)[O-]

Isomeric SMILES

CC#COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H9F3N2O5/c1-2-7-27-17(24)14-9-13(4-5-15(14)23(25)26)28-16-6-3-12(18(19,20)21)8-11(16)10-22/h3-6,8-9H,1H3