5-(4-chlorophenyl)carbonyl-2-(2-ethoxy-2-oxidanylidene-ethyl)-4-ethyl-1-methyl-pyrrole-3-carboxylic acid

Systemtic Name: 5-(4-chlorophenyl)carbonyl-2-(2-ethoxy-2-oxidanylidene-ethyl)-4-ethyl-1-methyl-pyrrole-3-carboxylic acid Openeye Name: 5-(4-chlorobenzoyl)-2-(2-ethoxy-2-oxo-ethyl)-4-ethyl-1-methyl-pyrrole-3-carboxylic acid CAS Name: 5-[(4-chlorophenyl)-oxomethyl]-2-(2-ethoxy-2-oxoethyl)-4-ethyl-1-methyl-3-pyrrolecarboxylic acid IUPAC Name: 5-(4-chlorobenzoyl)-2-(2-ethoxy-2-oxoethyl)-4-ethyl-1-methylpyrrole-3-carboxylic acid Traditional Name: 5-(4-chlorobenzoyl)-2-(2-ethoxy-2-keto-ethyl)-4-ethyl-1-methyl-pyrrole-3-carboxylic acid Formula: C19H20ClNO5 MolecularWeight: 377.8188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=C1C(=O)O)CC(=O)OCC)C)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC1=C(N(C(=C1C(=O)O)CC(=O)OCC)C)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H20ClNO5/c1-4-13-16(19(24)25)14(10-15(22)26-5-2)21(3)17(13)18(23)11-6-8-12(20)9-7-11/h6-9H,4-5,10H2,1-3H3,(H,24,25)