[1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: [1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [2-(5-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 1-butyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-butyl-6-oxo-3-pyridazinecarboxylic acid [1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 1-butyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-butyl-6-keto-pyridazine-3-carboxylic acid [2-(5-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H22ClN3O4 MolecularWeight: 391.84868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=CC(=N1)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)Cl)C

Isomeric SMILES

CCCCN1C(=O)C=CC(=N1)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)Cl)C

InChI

InChI=1S/C19H22ClN3O4/c1-4-5-10-23-17(24)9-8-15(22-23)19(26)27-13(3)18(25)21-16-11-14(20)7-6-12(16)2/h6-9,11,13H,4-5,10H2,1-3H3,(H,21,25)