methyl 2-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-oxidanylidene-pyridin-3-yl]carbonyl-methyl-amino]benzoate

Systemtic Name: methyl 2-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-oxidanylidene-pyridin-3-yl]carbonyl-methyl-amino]benzoate Openeye Name: methyl 2-[[1-[(2-chloro-6-fluoro-phenyl)methyl]-6-oxo-pyridine-3-carbonyl]-methyl-amino]benzoate CAS Name: 2-[[[1-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-3-pyridinyl]-oxomethyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]-methylamino]benzoate Traditional Name: 2-[[1-(2-chloro-6-fluoro-benzyl)-6-keto-nicotinoyl]-methyl-amino]benzoic acid methyl ester Formula: C22H18ClFN2O4 MolecularWeight: 428.840723

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C(=O)C2=CN(C(=O)C=C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C(=O)C2=CN(C(=O)C=C2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H18ClFN2O4/c1-25(19-9-4-3-6-15(19)22(29)30-2)21(28)14-10-11-20(27)26(12-14)13-16-17(23)7-5-8-18(16)24/h3-12H,13H2,1-2H3