6-fluoranyl-4-oxidanyl-8-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid

Systemtic Name: 6-fluoranyl-4-oxidanyl-8-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 6-fluoro-4-hydroxy-8-(1,3,5-trimethylpyrazol-4-yl)chromane-2-carboxylic acid CAS Name: 6-fluoro-4-hydroxy-8-(1,3,5-trimethyl-4-pyrazolyl)-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 6-fluoro-4-hydroxy-8-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 6-fluoro-4-hydroxy-8-(1,3,5-trimethylpyrazol-4-yl)chroman-2-carboxylic acid Formula: C16H17FN2O4 MolecularWeight: 320.315583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C2=CC(=CC3=C2OC(CC3O)C(=O)O)F

Isomeric SMILES

CC1=C(C(=NN1C)C)C2=CC(=CC3=C2OC(CC3O)C(=O)O)F

InChI

InChI=1S/C16H17FN2O4/c1-7-14(8(2)19(3)18-7)11-5-9(17)4-10-12(20)6-13(16(21)22)23-15(10)11/h4-5,12-13,20H,6H2,1-3H3,(H,21,22)