4-[[3-(trifluoromethyl)phenyl]amino]quinazoline-7-carboxylate

Systemtic Name: 4-[[3-(trifluoromethyl)phenyl]amino]quinazoline-7-carboxylate Openeye Name: 4-[3-(trifluoromethyl)anilino]quinazoline-7-carboxylate CAS Name: 4-[3-(trifluoromethyl)anilino]-7-quinazolinecarboxylate IUPAC Name: 4-[3-(trifluoromethyl)anilino]quinazoline-7-carboxylate Traditional Name: 4-[3-(trifluoromethyl)anilino]quinazoline-7-carboxylate Formula: C16H9F3N3O2- MolecularWeight: 332.25677

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=NC3=C2C=CC(=C3)C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=NC3=C2C=CC(=C3)C(=O)[O-])C(F)(F)F

InChI

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