[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 1-[(2-chlorophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 1-[(2-chlorophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 1-[(2-chlorophenyl)methyl]-6-oxo-pyridine-3-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinecarboxylic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate Traditional Name: 1-(2-chlorobenzyl)-6-keto-nicotinic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=CN(C(=O)C=C1)CC2=CC=CC=C2Cl

Isomeric SMILES

CC(C(=O)NC(C)(C)C)OC(=O)C1=CN(C(=O)C=C1)CC2=CC=CC=C2Cl

InChI

InChI=1S/C20H23ClN2O4/c1-13(18(25)22-20(2,3)4)27-19(26)15-9-10-17(24)23(12-15)11-14-7-5-6-8-16(14)21/h5-10,12-13H,11H2,1-4H3,(H,22,25)