3-[2,4-bis(trifluoromethyl)phenyl]-8-methyl-2H-1,3-benzoxazin-3-ium

Systemtic Name: 3-[2,4-bis(trifluoromethyl)phenyl]-8-methyl-2H-1,3-benzoxazin-3-ium Openeye Name: 3-[2,4-bis(trifluoromethyl)phenyl]-8-methyl-2H-1,3-benzoxazin-3-ium CAS Name: 3-[2,4-bis(trifluoromethyl)phenyl]-8-methyl-2H-1,3-benzoxazin-3-ium IUPAC Name: 3-[2,4-bis(trifluoromethyl)phenyl]-8-methyl-2H-1,3-benzoxazin-3-ium Traditional Name: 3-[2,4-bis(trifluoromethyl)phenyl]-8-methyl-2H-1,3-benzoxazin-3-ium Formula: C17H12F6NO+ MolecularWeight: 360.273699

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC[N+](=C2)C3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=CC2=C1OC[N+](=C2)C3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H12F6NO/c1-10-3-2-4-11-8-24(9-25-15(10)11)14-6-5-12(16(18,19)20)7-13(14)17(21,22)23/h2-8H,9H2,1H3/q+1