(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate CAS Name: 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate Traditional Name: 2-[3-(trifluoromethyl)anilino]nicotinic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C22H14ClF3N4O3 MolecularWeight: 474.81977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C22H14ClF3N4O3/c23-13-6-7-15-17(10-13)29-18(30-20(15)31)11-33-21(32)16-5-2-8-27-19(16)28-14-4-1-3-12(9-14)22(24,25)26/h1-10H,11H2,(H,27,28)(H,29,30,31)