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

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C14H19N3O5 MolecularWeight: 309.31776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O5/c1-3-4-5-15-14(21)17-12(19)8-22-13(20)11-6-10(7-16-11)9(2)18/h6-7,16H,3-5,8H2,1-2H3,(H2,15,17,19,21)