[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C13H16ClN3O4 MolecularWeight: 313.73684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1=CN=C(C=C1)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O4/c1-3-8(2)16-13(20)17-11(18)7-21-12(19)9-4-5-10(14)15-6-9/h4-6,8H,3,7H2,1-2H3,(H2,16,17,18,20)/t8-/m0/s1