[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C16H17ClN2O3 MolecularWeight: 320.77078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CN2)Cl

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CN2)Cl

InChI

InChI=1S/C16H17ClN2O3/c1-10(2)12-5-3-4-6-13(12)19-15(20)9-22-16(21)14-7-11(17)8-18-14/h3-8,10,18H,9H2,1-2H3,(H,19,20)