[4-(2-azanyl-3-methoxy-3-oxidanylidene-propyl)phenyl] 3,5-bis(chloranyl)pyridine-4-carboxylate

Systemtic Name: [4-(2-azanyl-3-methoxy-3-oxidanylidene-propyl)phenyl] 3,5-bis(chloranyl)pyridine-4-carboxylate Openeye Name: [4-(2-amino-3-methoxy-3-oxo-propyl)phenyl] 3,5-dichloropyridine-4-carboxylate CAS Name: 3,5-dichloro-4-pyridinecarboxylic acid [4-(2-amino-3-methoxy-3-oxopropyl)phenyl] ester IUPAC Name: [4-(2-amino-3-methoxy-3-oxopropyl)phenyl] 3,5-dichloropyridine-4-carboxylate Traditional Name: 3,5-dichloroisonicotinic acid [4-(2-amino-3-keto-3-methoxy-propyl)phenyl] ester Formula: C16H14Cl2N2O4 MolecularWeight: 369.19936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OC(=O)C2=C(C=NC=C2Cl)Cl)N

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)OC(=O)C2=C(C=NC=C2Cl)Cl)N

InChI

InChI=1S/C16H14Cl2N2O4/c1-23-15(21)13(19)6-9-2-4-10(5-3-9)24-16(22)14-11(17)7-20-8-12(14)18/h2-5,7-8,13H,6,19H2,1H3