2-[3,5-bis(trifluoromethyl)phenyl]-4-oxidanylidene-1H-quinazoline-5-carboxylic acid

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]-4-oxidanylidene-1H-quinazoline-5-carboxylic acid Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-1H-quinazoline-5-carboxylic acid CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-1H-quinazoline-5-carboxylic acid IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-1H-quinazoline-5-carboxylic acid Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]-4-keto-1H-quinazoline-5-carboxylic acid Formula: C17H8F6N2O3 MolecularWeight: 402.247439

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)NC(=NC2=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=C2C(=C1)NC(=NC2=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H8F6N2O3/c18-16(19,20)8-4-7(5-9(6-8)17(21,22)23)13-24-11-3-1-2-10(15(27)28)12(11)14(26)25-13/h1-6H,(H,27,28)(H,24,25,26)