(2E)-2-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoxy]iminopropanoic acid; O-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]hydroxylamine

Systemtic Name: (2E)-2-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoxy]iminopropanoic acid; O-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]hydroxylamine Openeye Name: O-[(E)-3-[3-(trifluoromethyl)phenyl]allyl]hydroxylamine; (2E)-2-[(E)-3-[3-(trifluoromethyl)phenyl]allyloxy]iminopropanoic acid CAS Name: (2E)-2-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoxy]iminopropanoic acid; O-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]hydroxylamine IUPAC Name: (2E)-2-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoxy]iminopropanoic acid; O-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]hydroxylamine Traditional Name: O-[(E)-3-[3-(trifluoromethyl)phenyl]allyl]hydroxylamine; (2E)-2-[(E)-3-[3-(trifluoromethyl)phenyl]allyl]oximinopropionic acid Formula: C23H22F6N2O4 MolecularWeight: 504.422199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NOCC=CC1=CC(=CC=C1)C(F)(F)F)C(=O)O.C1=CC(=CC(=C1)C(F)(F)F)C=CCON

Isomeric SMILES

C/C(=N\OC/C=C/C1=CC(=CC=C1)C(F)(F)F)/C(=O)O.C1=CC(=CC(=C1)C(F)(F)F)/C=C/CON

InChI

InChI=1S/C13H12F3NO3.C10H10F3NO/c1-9(12(18)19)17-20-7-3-5-10-4-2-6-11(8-10)13(14,15)16;11-10(12,13)9-5-1-3-8(7-9)4-2-6-15-14/h2-6,8H,7H2,1H3,(H,18,19);1-5,7H,6,14H2/b5-3+,17-9+;4-2+