[2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-[4-(2-acetamidoethyl)phenyl]-2-keto-ethyl] ester Formula: C18H17ClN2O4 MolecularWeight: 360.79158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CN=C(C=C2)Cl

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C18H17ClN2O4/c1-12(22)20-9-8-13-2-4-14(5-3-13)16(23)11-25-18(24)15-6-7-17(19)21-10-15/h2-7,10H,8-9,11H2,1H3,(H,20,22)