[4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl ester IUPAC Name: [4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [4-keto-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl ester Formula: C21H17F3N4O6 MolecularWeight: 478.37809

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H17F3N4O6/c22-21(23,24)12-1-3-14-16(9-12)25-18(26-19(14)29)11-34-20(30)15-10-13(28(31)32)2-4-17(15)27-5-7-33-8-6-27/h1-4,9-10H,5-8,11H2,(H,25,26,29)