ethyl (5E)-2-methyl-4-oxidanylidene-5-[(4-propan-2-ylphenyl)methylidene]-1H-pyrrole-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=CC2=CC=C(C=C2)C(C)C)C1=O)C

Isomeric SMILES

CCOC(=O)C1=C(N/C(=C/C2=CC=C(C=C2)C(C)C)/C1=O)C

InChI

InChI=1S/C18H21NO3/c1-5-22-18(21)16-12(4)19-15(17(16)20)10-13-6-8-14(9-7-13)11(2)3/h6-11,19H,5H2,1-4H3/b15-10+