[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3,6-bis(chloranyl)pyridine-2-carboxylate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3,6-bis(chloranyl)pyridine-2-carboxylate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 3,6-dichloropyridine-2-carboxylate CAS Name: 3,6-dichloro-2-pyridinecarboxylic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate Traditional Name: 3,6-dichloropicolinic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C19H18Cl2N2O4 MolecularWeight: 409.26322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=N2)Cl)Cl

InChI

InChI=1S/C19H18Cl2N2O4/c1-11(2)9-17(25)22-13-5-3-12(4-6-13)15(24)10-27-19(26)18-14(20)7-8-16(21)23-18/h3-8,11H,9-10H2,1-2H3,(H,22,25)