• 
  [Synonyms]
  BRN 1220956
  LS-41947
  1,4-Dihydro-6-nitro-4-phenyl-2H-3,1-benzoxazin-2-one
  4-Phenyl-6-nitro-1,4-dihydro-2H-3,1-benzoxazin-2-one
  2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-nitro-4-phenyl-
  33047-93-7
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	270.2402 [g/mol]
  Molecular Formula	C14H10N2O4
  XLogP	2.6
  H-Bond Donor	1
  H-Bond Acceptor	4
  Rotatable Bond Count	1
  Tautomer Count	2
  Exact Mass	270.064057
  MonoIsotopic Mass	270.064057
  Topological Polar Surface Area	81.5
  Heavy Atom Count	20
  Formal Charge	0
  Complexity	389
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	1
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: 6-nitro-4-phenyl-1,4-dihydro-3,1-benzoxazin-2-one
  Canonical SMILES: C1=CC=C(C=C1)C2C3=C(C=CC(=C3)[N+](=O)[O-])NC(=O)O2
  InChI: InChI=1/C14H10N2O4/c17-14-15-12-7-6-10(16(18)19)8-11(12)13(20-14)9-4-2-
  1-3-5-9/h1-8,13H,(H,15,17)/f/h15H