[3-[4-fluoranyl-2-(trifluoromethyl)phenyl]-1-oxidanylidene-2H-isoquinolin-7-yl]carbamic acid

Systemtic Name: [3-[4-fluoranyl-2-(trifluoromethyl)phenyl]-1-oxidanylidene-2H-isoquinolin-7-yl]carbamic acid Openeye Name: [3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-oxo-2H-isoquinolin-7-yl]carbamic acid CAS Name: [3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-oxo-2H-isoquinolin-7-yl]carbamic acid IUPAC Name: [3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-oxo-2H-isoquinolin-7-yl]carbamic acid Traditional Name: [3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-keto-2H-isoquinolin-7-yl]carbamic acid Formula: C17H10F4N2O3 MolecularWeight: 366.266513

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)O)C(=O)NC(=C2)C3=C(C=C(C=C3)F)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)O)C(=O)NC(=C2)C3=C(C=C(C=C3)F)C(F)(F)F

InChI

InChI=1S/C17H10F4N2O3/c18-9-2-4-11(13(6-9)17(19,20)21)14-5-8-1-3-10(22-16(25)26)7-12(8)15(24)23-14/h1-7,22H,(H,23,24)(H,25,26)