3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl 4-nitrobenzoate

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl 4-nitrobenzoate Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl ester IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl ester Formula: C18H9F6NO4 MolecularWeight: 417.258779

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC#CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC#CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H9F6NO4/c19-17(20,21)13-8-11(9-14(10-13)18(22,23)24)2-1-7-29-16(26)12-3-5-15(6-4-12)25(27)28/h3-6,8-10H,7H2