2-[2-(cyanomethyl)-6-fluoranyl-4-methoxycarbonyl-1,3-bis(oxidanylidene)isoquinolin-4-yl]ethanoic acid

Systemtic Name: 2-[2-(cyanomethyl)-6-fluoranyl-4-methoxycarbonyl-1,3-bis(oxidanylidene)isoquinolin-4-yl]ethanoic acid Openeye Name: 2-[2-(cyanomethyl)-6-fluoro-4-methoxycarbonyl-1,3-dioxo-4-isoquinolyl]acetic acid CAS Name: 2-[2-(cyanomethyl)-6-fluoro-4-methoxycarbonyl-1,3-dioxo-4-isoquinolinyl]acetic acid IUPAC Name: 2-[2-(cyanomethyl)-6-fluoro-4-methoxycarbonyl-1,3-dioxoisoquinolin-4-yl]acetic acid Traditional Name: 2-[4-carbomethoxy-2-(cyanomethyl)-6-fluoro-1,3-diketo-4-isoquinolyl]acetic acid Formula: C15H11FN2O6 MolecularWeight: 334.256043

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C2=C(C=CC(=C2)F)C(=O)N(C1=O)CC#N)CC(=O)O

Isomeric SMILES

COC(=O)C1(C2=C(C=CC(=C2)F)C(=O)N(C1=O)CC#N)CC(=O)O

InChI

InChI=1S/C15H11FN2O6/c1-24-14(23)15(7-11(19)20)10-6-8(16)2-3-9(10)12(21)18(5-4-17)13(15)22/h2-3,6H,5,7H2,1H3,(H,19,20)