[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C12H16ClN3O4 MolecularWeight: 301.72614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC(=CN1)Cl

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC(=CN1)Cl

InChI

InChI=1S/C12H16ClN3O4/c1-12(2,3)16-11(19)15-9(17)6-20-10(18)8-4-7(13)5-14-8/h4-5,14H,6H2,1-3H3,(H2,15,16,17,19)