2-[2-[6-chloranyl-2-oxidanylidene-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]ethynyl]benzenecarbonitrile

Systemtic Name: 2-[2-[6-chloranyl-2-oxidanylidene-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]ethynyl]benzenecarbonitrile Openeye Name: 2-[2-[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]ethynyl]benzonitrile CAS Name: 2-[2-[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]ethynyl]benzonitrile IUPAC Name: 2-[2-[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]ethynyl]benzonitrile Traditional Name: 2-[2-[6-chloro-2-keto-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]ethynyl]benzonitrile Formula: C18H8ClF3N2O2 MolecularWeight: 376.71653

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F)C#N

InChI

InChI=1S/C18H8ClF3N2O2/c19-13-5-6-15-14(9-13)17(18(20,21)22,26-16(25)24-15)8-7-11-3-1-2-4-12(11)10-23/h1-6,9H,(H,24,25)