[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C14H17ClN2O3 MolecularWeight: 296.74938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O3/c1-4-14(5-2,6-3)17-12(18)9-20-13(19)11-7-10(15)8-16-11/h1,7-8,16H,5-6,9H2,2-3H3,(H,17,18)