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

Systemtic Name: [2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(1,2-dimethylpropylamino)-2-oxo-ethyl] 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-(1,2-dimethylpropylamino)-2-keto-ethyl] ester Formula: C12H17ClN2O3 MolecularWeight: 272.72798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN2O3/c1-7(2)8(3)15-11(16)6-18-12(17)10-4-9(13)5-14-10/h4-5,7-8,14H,6H2,1-3H3,(H,15,16)