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

Systemtic Name: 3-[2,4-bis(trifluoromethyl)phenyl]-8-methyl-1,3-benzoxazin-3-ium-2-one Openeye Name: 3-[2,4-bis(trifluoromethyl)phenyl]-8-methyl-1,3-benzoxazin-3-ium-2-one CAS Name: 3-[2,4-bis(trifluoromethyl)phenyl]-8-methyl-1,3-benzoxazin-3-ium-2-one IUPAC Name: 3-[2,4-bis(trifluoromethyl)phenyl]-8-methyl-1,3-benzoxazin-3-ium-2-one Traditional Name: 3-[2,4-bis(trifluoromethyl)phenyl]-8-methyl-1,3-benzoxazin-3-ium-2-one Formula: C17H10F6NO2+ MolecularWeight: 374.257219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10F6NO2/c1-9-3-2-4-10-8-24(15(25)26-14(9)10)13-6-5-11(16(18,19)20)7-12(13)17(21,22)23/h2-8H,1H3/q+1