6-nitro-4-phenyl-1H-quinazolin-2-one; 4-phenyl-6-(trifluoromethyl)-1H-quinazolin-2-one

Systemtic Name: 6-nitro-4-phenyl-1H-quinazolin-2-one; 4-phenyl-6-(trifluoromethyl)-1H-quinazolin-2-one Openeye Name: 6-nitro-4-phenyl-1H-quinazolin-2-one; 4-phenyl-6-(trifluoromethyl)-1H-quinazolin-2-one CAS Name: 6-nitro-4-phenyl-1H-quinazolin-2-one; 4-phenyl-6-(trifluoromethyl)-1H-quinazolin-2-one IUPAC Name: 6-nitro-4-phenyl-1H-quinazolin-2-one; 4-phenyl-6-(trifluoromethyl)-1H-quinazolin-2-one Traditional Name: 6-nitro-4-phenyl-1H-quinazolin-2-one; 4-phenyl-6-(trifluoromethyl)-1H-quinazolin-2-one Formula: C29H18F3N5O4 MolecularWeight: 557.47953

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=O)NC3=C2C=C(C=C3)C(F)(F)F.C1=CC=C(C=C1)C2=NC(=O)NC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=O)NC3=C2C=C(C=C3)C(F)(F)F.C1=CC=C(C=C1)C2=NC(=O)NC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H9F3N2O.C14H9N3O3/c16-15(17,18)10-6-7-12-11(8-10)13(20-14(21)19-12)9-4-2-1-3-5-9;18-14-15-12-7-6-10(17(19)20)8-11(12)13(16-14)9-4-2-1-3-5-9/h1-8H,(H,19,20,21);1-8H,(H,15,16,18)