[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 1-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(5-chloro-2-methoxyphenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C19H19ClN2O4 MolecularWeight: 374.81816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)OC)C)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)OC)C)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C19H19ClN2O4/c1-5-8-21-18(23)11-26-19(24)15-9-12(2)22(13(15)3)16-10-14(20)6-7-17(16)25-4/h1,6-7,9-10H,8,11H2,2-4H3,(H,21,23)