ethyl 5-(2-chloranyl-2-oxidanylidene-ethanoyl)-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(2-chloranyl-2-oxidanylidene-ethanoyl)-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-(2-chloro-2-oxo-acetyl)-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 5-(2-chloro-1,2-dioxoethyl)-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-chloro-2-oxoacetyl)-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(2-chloro-2-keto-acetyl)-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H14ClNO4 MolecularWeight: 319.73966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)C(=O)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)C(=O)Cl)C

InChI

InChI=1S/C16H14ClNO4/c1-3-22-16(21)11-9(2)18-13(14(19)15(17)20)12(11)10-7-5-4-6-8-10/h4-8,18H,3H2,1-2H3