(4S)-6-azanyl-4-but-1-ynyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one

Systemtic Name: (4S)-6-azanyl-4-but-1-ynyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Openeye Name: (4S)-6-amino-4-but-1-ynyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one CAS Name: (4S)-6-amino-4-but-1-ynyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one IUPAC Name: (4S)-6-amino-4-but-1-ynyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Traditional Name: (4S)-6-amino-4-but-1-ynyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Formula: C13H11F3N2O2 MolecularWeight: 284.23385

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1(C2=C(C=CC(=C2)N)NC(=O)O1)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C13H11F3N2O2/c1-2-3-6-12(13(14,15)16)9-7-8(17)4-5-10(9)18-11(19)20-12/h4-5,7H,2,17H2,1H3,(H,18,19)/t12-/m0/s1