[2-[[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[[2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl]-ethyl-amino]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[[2-(5-chloro-2-methyl-anilino)-2-keto-ethyl]-ethyl-amino]-2-keto-ethyl] ester Formula: C19H20ClN3O4 MolecularWeight: 389.8328

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)COC(=O)C2=CN=CC=C2

Isomeric SMILES

CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)COC(=O)C2=CN=CC=C2

InChI

InChI=1S/C19H20ClN3O4/c1-3-23(11-17(24)22-16-9-15(20)7-6-13(16)2)18(25)12-27-19(26)14-5-4-8-21-10-14/h4-10H,3,11-12H2,1-2H3,(H,22,24)