[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-(4-isopropylanilino)-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-oxo-2-(4-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylanilino)ethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid (2-cumidino-2-keto-ethyl) ester Formula: C17H17ClN2O3 MolecularWeight: 332.78148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O3/c1-11(2)12-3-6-14(7-4-12)20-16(21)10-23-17(22)13-5-8-15(18)19-9-13/h3-9,11H,10H2,1-2H3,(H,20,21)