dimethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxidanylidene-pyridin-3-yl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxidanylidene-pyridin-3-yl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxo-pyridine-3-carbonyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[1-[(3-fluorophenyl)methyl]-6-oxo-3-pyridinyl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[1-(3-fluorobenzyl)-6-keto-nicotinoyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C23H19FN2O6 MolecularWeight: 438.405163

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CN(C(=O)C=C2)CC3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CN(C(=O)C=C2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C23H19FN2O6/c1-31-22(29)15-6-8-18(23(30)32-2)19(11-15)25-21(28)16-7-9-20(27)26(13-16)12-14-4-3-5-17(24)10-14/h3-11,13H,12H2,1-2H3,(H,25,28)