ethyl (5E)-5-[(4-cyanophenyl)-oxidanyl-methylidene]-2-(2-ethoxy-2-oxidanylidene-ethyl)-1-methyl-4-oxidanylidene-pyrrole-3-carboxylate

Systemtic Name: ethyl (5E)-5-[(4-cyanophenyl)-oxidanyl-methylidene]-2-(2-ethoxy-2-oxidanylidene-ethyl)-1-methyl-4-oxidanylidene-pyrrole-3-carboxylate Openeye Name: ethyl (5E)-5-[(4-cyanophenyl)-hydroxy-methylene]-2-(2-ethoxy-2-oxo-ethyl)-1-methyl-4-oxo-pyrrole-3-carboxylate CAS Name: (5E)-5-[(4-cyanophenyl)-hydroxymethylidene]-2-(2-ethoxy-2-oxoethyl)-1-methyl-4-oxo-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (5E)-5-[(4-cyanophenyl)-hydroxymethylidene]-2-(2-ethoxy-2-oxoethyl)-1-methyl-4-oxopyrrole-3-carboxylate Traditional Name: (5E)-5-[(4-cyanophenyl)-hydroxy-methylene]-2-(2-ethoxy-2-keto-ethyl)-4-keto-1-methyl-2-pyrroline-3-carboxylic acid ethyl ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C(=O)C(=C(C2=CC=C(C=C2)C#N)O)N1C)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC1=C(C(=O)/C(=C(/C2=CC=C(C=C2)C#N)\O)/N1C)C(=O)OCC

InChI

InChI=1S/C20H20N2O6/c1-4-27-15(23)10-14-16(20(26)28-5-2)19(25)17(22(14)3)18(24)13-8-6-12(11-21)7-9-13/h6-9,24H,4-5,10H2,1-3H3/b18-17+