(E)-2-(2-azanyl-2-oxidanylidene-ethyl)-3-oxidanyl-N-[4-(trifluoromethyl)phenyl]hept-2-en-4-ynenitrilium

Systemtic Name: (E)-2-(2-azanyl-2-oxidanylidene-ethyl)-3-oxidanyl-N-[4-(trifluoromethyl)phenyl]hept-2-en-4-ynenitrilium Openeye Name: (E)-2-(2-amino-2-oxo-ethyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]hept-2-en-4-ynenitrilium CAS Name: (E)-2-(2-amino-2-oxoethyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]hept-2-en-4-ynenitrilium IUPAC Name: (E)-2-(2-amino-2-oxoethyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]hept-2-en-4-ynenitrilium Traditional Name: (E)-2-(2-amino-2-keto-ethyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]hept-2-en-4-ynenitrilium Formula: C16H14F3N2O2+ MolecularWeight: 323.28977

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(=C(CC(=O)N)C#[N+]C1=CC=C(C=C1)C(F)(F)F)O

Isomeric SMILES

CCC#C/C(=C(/CC(=O)N)\C#[N+]C1=CC=C(C=C1)C(F)(F)F)/O

InChI

InChI=1S/C16H13F3N2O2/c1-2-3-4-14(22)11(9-15(20)23)10-21-13-7-5-12(6-8-13)16(17,18)19/h5-8H,2,9H2,1H3,(H2,20,23)/p+1