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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClN3O4/c1-7(2)4-15-12(19)16-10(17)6-20-11(18)9-3-8(13)5-14-9/h3,5,7,14H,4,6H2,1-2H3,(H2,15,16,17,19)