(2S)-2-methyl-6-nitro-4-(1-oxidanidylpyridin-1-ium-2-yl)-2-(trifluoromethyl)-3H-1,4-benzoxazine

Systemtic Name: (2S)-2-methyl-6-nitro-4-(1-oxidanidylpyridin-1-ium-2-yl)-2-(trifluoromethyl)-3H-1,4-benzoxazine Openeye Name: (2S)-2-methyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-2-(trifluoromethyl)-3H-1,4-benzoxazine CAS Name: (2S)-2-methyl-6-nitro-4-(1-oxido-2-pyridin-1-iumyl)-2-(trifluoromethyl)-3H-1,4-benzoxazine IUPAC Name: (2S)-2-methyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-2-(trifluoromethyl)-3H-1,4-benzoxazine Traditional Name: (2S)-2-methyl-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-2-(trifluoromethyl)-3H-1,4-benzoxazine Formula: C15H12F3N3O4 MolecularWeight: 355.26869

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=[N+]3[O-])C(F)(F)F

Isomeric SMILES

C[C@]1(CN(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=[N+]3[O-])C(F)(F)F

InChI

InChI=1S/C15H12F3N3O4/c1-14(15(16,17)18)9-19(13-4-2-3-7-20(13)22)11-8-10(21(23)24)5-6-12(11)25-14/h2-8H,9H2,1H3/t14-/m0/s1