(4S)-4-(3-methylbut-1-ynyl)-6-nitro-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one

Systemtic Name: (4S)-4-(3-methylbut-1-ynyl)-6-nitro-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Openeye Name: (4S)-4-(3-methylbut-1-ynyl)-6-nitro-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one CAS Name: (4S)-4-(3-methylbut-1-ynyl)-6-nitro-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one IUPAC Name: (4S)-4-(3-methylbut-1-ynyl)-6-nitro-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Traditional Name: (4S)-4-(3-methylbut-1-ynyl)-6-nitro-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Formula: C14H11F3N2O4 MolecularWeight: 328.24335

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C#CC1(C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)O1)C(F)(F)F

Isomeric SMILES

CC(C)C#C[C@]1(C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)O1)C(F)(F)F

InChI

InChI=1S/C14H11F3N2O4/c1-8(2)5-6-13(14(15,16)17)10-7-9(19(21)22)3-4-11(10)18-12(20)23-13/h3-4,7-8H,1-2H3,(H,18,20)/t13-/m0/s1