[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-chloranylpyridine-2-carboxylate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-chloranylpyridine-2-carboxylate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-chloropyridine-2-carboxylate CAS Name: 4-chloro-2-pyridinecarboxylic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-chloropyridine-2-carboxylate Traditional Name: 4-chloropicolinic acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H18ClN3O4 MolecularWeight: 327.76342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=NC=CC(=C1)Cl

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=NC=CC(=C1)Cl

InChI

InChI=1S/C14H18ClN3O4/c1-8(11(19)17-13(21)18-14(2,3)4)22-12(20)10-7-9(15)5-6-16-10/h5-8H,1-4H3,(H2,17,18,19,21)/t8-/m1/s1