methyl 2-[2-(2-bromanylpropyl)-6-nitro-4-oxidanylidene-quinazolin-3-yl]-5-(trifluoromethyl)benzoate

Systemtic Name: methyl 2-[2-(2-bromanylpropyl)-6-nitro-4-oxidanylidene-quinazolin-3-yl]-5-(trifluoromethyl)benzoate Openeye Name: methyl 2-[2-(2-bromopropyl)-6-nitro-4-oxo-quinazolin-3-yl]-5-(trifluoromethyl)benzoate CAS Name: 2-[2-(2-bromopropyl)-6-nitro-4-oxo-3-quinazolinyl]-5-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 2-[2-(2-bromopropyl)-6-nitro-4-oxoquinazolin-3-yl]-5-(trifluoromethyl)benzoate Traditional Name: 2-[2-(2-bromopropyl)-4-keto-6-nitro-quinazolin-3-yl]-5-(trifluoromethyl)benzoic acid methyl ester Formula: C20H15BrF3N3O5 MolecularWeight: 514.24941

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1C3=C(C=C(C=C3)C(F)(F)F)C(=O)OC)Br

Isomeric SMILES

CC(CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1C3=C(C=C(C=C3)C(F)(F)F)C(=O)OC)Br

InChI

InChI=1S/C20H15BrF3N3O5/c1-10(21)7-17-25-15-5-4-12(27(30)31)9-13(15)18(28)26(17)16-6-3-11(20(22,23)24)8-14(16)19(29)32-2/h3-6,8-10H,7H2,1-2H3