6-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-4H-1,4-benzoxazin-3-one CAS Name: 6-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-4H-1,4-benzoxazin-3-one Formula: C15H8F3N3O6S MolecularWeight: 415.30073

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)SC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)SC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H8F3N3O6S/c16-15(17,18)7-3-10(20(23)24)14(11(4-7)21(25)26)28-8-1-2-12-9(5-8)19-13(22)6-27-12/h1-5H,6H2,(H,19,22)