4-[(6-fluoranyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(6-fluoranyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]benzoic acid Openeye Name: 4-[(6-fluoro-1-oxo-isochromane-3-carbonyl)amino]benzoic acid CAS Name: 4-[[(6-fluoro-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(6-fluoro-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]benzoic acid Traditional Name: 4-[(6-fluoro-1-keto-isochroman-3-carbonyl)amino]benzoic acid Formula: C17H12FNO5 MolecularWeight: 329.279283

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=C1C=C(C=C2)F)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1C(OC(=O)C2=C1C=C(C=C2)F)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H12FNO5/c18-11-3-6-13-10(7-11)8-14(24-17(13)23)15(20)19-12-4-1-9(2-5-12)16(21)22/h1-7,14H,8H2,(H,19,20)(H,21,22)