6-chloranyl-4-[2-(2-nitrophenyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one

Systemtic Name: 6-chloranyl-4-[2-(2-nitrophenyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Openeye Name: 6-chloro-4-[2-(2-nitrophenyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one CAS Name: 6-chloro-4-[2-(2-nitrophenyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one IUPAC Name: 6-chloro-4-[2-(2-nitrophenyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Traditional Name: 6-chloro-4-[2-(2-nitrophenyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Formula: C17H8ClF3N2O4 MolecularWeight: 396.70463

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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)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H8ClF3N2O4/c18-11-5-6-13-12(9-11)16(17(19,20)21,27-15(24)22-13)8-7-10-3-1-2-4-14(10)23(25)26/h1-6,9H,(H,22,24)