ethyl 4-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-oxidanylidene-pyridin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-oxidanylidene-pyridin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-[(2-chloro-6-fluoro-phenyl)methyl]-6-oxo-pyridine-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-3-pyridinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate Traditional Name: 4-[[1-(2-chloro-6-fluoro-benzyl)-6-keto-nicotinoyl]amino]benzoic acid ethyl ester Formula: C22H18ClFN2O4 MolecularWeight: 428.840723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(C(=O)C=C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(C(=O)C=C2)CC3=C(C=CC=C3Cl)F

InChI

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