methyl (4Z)-4-[(5-bromanyl-2-oxidanyl-phenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxidanylidene-pyrrole-3-carboxylate

Systemtic Name: methyl (4Z)-4-[(5-bromanyl-2-oxidanyl-phenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxidanylidene-pyrrole-3-carboxylate Openeye Name: methyl (4Z)-4-[(5-bromo-2-hydroxy-phenyl)methylene]-1-isobutyl-2-methyl-5-oxo-pyrrole-3-carboxylate CAS Name: (4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxo-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxopyrrole-3-carboxylate Traditional Name: (4Z)-4-(5-bromo-2-hydroxy-benzylidene)-1-isobutyl-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=C(C=CC(=C2)Br)O)C(=O)N1CC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C/C2=C(C=CC(=C2)Br)O)/C(=O)N1CC(C)C)C(=O)OC

InChI

InChI=1S/C18H20BrNO4/c1-10(2)9-20-11(3)16(18(23)24-4)14(17(20)22)8-12-7-13(19)5-6-15(12)21/h5-8,10,21H,9H2,1-4H3/b14-8-