[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C14H18BrN3O4 MolecularWeight: 372.21442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC(=O)COC(=O)C2=CC(=CN2)Br

Isomeric SMILES

C1CCC(CC1)NC(=O)NC(=O)COC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C14H18BrN3O4/c15-9-6-11(16-7-9)13(20)22-8-12(19)18-14(21)17-10-4-2-1-3-5-10/h6-7,10,16H,1-5,8H2,(H2,17,18,19,21)