methyl (5E)-5-[(4-tert-butylphenyl)methylidene]-2-methyl-4-oxidanylidene-3H-pyrrole-3-carboxylate

Systemtic Name: methyl (5E)-5-[(4-tert-butylphenyl)methylidene]-2-methyl-4-oxidanylidene-3H-pyrrole-3-carboxylate Openeye Name: methyl (5E)-5-[(4-tert-butylphenyl)methylene]-2-methyl-4-oxo-3H-pyrrole-3-carboxylate CAS Name: (5E)-5-[(4-tert-butylphenyl)methylidene]-2-methyl-4-oxo-3H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl (5E)-5-[(4-tert-butylphenyl)methylidene]-2-methyl-4-oxo-3H-pyrrole-3-carboxylate Traditional Name: (5E)-5-(4-tert-butylbenzylidene)-4-keto-2-methyl-1-pyrroline-3-carboxylic acid methyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=CC=C(C=C2)C(C)(C)C)C(=O)C1C(=O)OC

Isomeric SMILES

CC1=N/C(=C/C2=CC=C(C=C2)C(C)(C)C)/C(=O)C1C(=O)OC

InChI

InChI=1S/C18H21NO3/c1-11-15(17(21)22-5)16(20)14(19-11)10-12-6-8-13(9-7-12)18(2,3)4/h6-10,15H,1-5H3/b14-10+