N-(3-chloranyl-4-fluoranyl-phenyl)-6-nitro-7-(trifluoromethylsulfonyl)quinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-nitro-7-(trifluoromethylsulfonyl)quinazolin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-nitro-7-(trifluoromethylsulfonyl)quinazolin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-nitro-7-(trifluoromethylsulfonyl)-4-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-nitro-7-(trifluoromethylsulfonyl)quinazolin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-(6-nitro-7-triflyl-quinazolin-4-yl)amine Formula: C15H7ClF4N4O4S MolecularWeight: 450.752093

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])S(=O)(=O)C(F)(F)F)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])S(=O)(=O)C(F)(F)F)Cl)F

InChI

InChI=1S/C15H7ClF4N4O4S/c16-9-3-7(1-2-10(9)17)23-14-8-4-12(24(25)26)13(5-11(8)21-6-22-14)29(27,28)15(18,19)20/h1-6H,(H,21,22,23)