ethyl (5E)-5-[(5-bromanyl-2-methoxy-phenyl)methylidene]-2-methyl-4-oxidanylidene-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl (5E)-5-[(5-bromanyl-2-methoxy-phenyl)methylidene]-2-methyl-4-oxidanylidene-1H-pyrrole-3-carboxylate Openeye Name: ethyl (5E)-5-[(5-bromo-2-methoxy-phenyl)methylene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylate CAS Name: (5E)-5-[(5-bromo-2-methoxyphenyl)methylidene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (5E)-5-[(5-bromo-2-methoxyphenyl)methylidene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylate Traditional Name: (5E)-5-(5-bromo-2-methoxy-benzylidene)-4-keto-2-methyl-2-pyrroline-3-carboxylic acid ethyl ester Formula: C16H16BrNO4 MolecularWeight: 366.20654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO4/c1-4-22-16(20)14-9(2)18-12(15(14)19)8-10-7-11(17)5-6-13(10)21-3/h5-8,18H,4H2,1-3H3/b12-8+