4-[[3-(trifluoromethyl)phenyl]amino]quinazoline-5-carboxylate

Systemtic Name: 4-[[3-(trifluoromethyl)phenyl]amino]quinazoline-5-carboxylate Openeye Name: 4-[3-(trifluoromethyl)anilino]quinazoline-5-carboxylate CAS Name: 4-[3-(trifluoromethyl)anilino]-5-quinazolinecarboxylate IUPAC Name: 4-[3-(trifluoromethyl)anilino]quinazoline-5-carboxylate Traditional Name: 4-[3-(trifluoromethyl)anilino]quinazoline-5-carboxylate Formula: C16H9F3N3O2- MolecularWeight: 332.25677

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=NC3=CC=CC(=C32)C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=NC3=CC=CC(=C32)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H10F3N3O2/c17-16(18,19)9-3-1-4-10(7-9)22-14-13-11(15(23)24)5-2-6-12(13)20-8-21-14/h1-8H,(H,23,24)(H,20,21,22)/p-1