[1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate

Systemtic Name: [1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate Openeye Name: [2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 6-morpholinopyridine-3-carboxylate CAS Name: 6-(4-morpholinyl)-3-pyridinecarboxylic acid [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate Traditional Name: 6-morpholinonicotinic acid [2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)C2=CN=C(C=C2)N3CCOCC3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)C2=CN=C(C=C2)N3CCOCC3

InChI

InChI=1S/C20H19ClN4O4/c1-13(19(26)24-16-4-2-14(11-22)17(21)10-16)29-20(27)15-3-5-18(23-12-15)25-6-8-28-9-7-25/h2-5,10,12-13H,6-9H2,1H3,(H,24,26)