methyl (4Z)-4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-2-methyl-1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrole-3-carboxylate

Systemtic Name: methyl (4Z)-4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-2-methyl-1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrole-3-carboxylate Openeye Name: methyl (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-2-methyl-5-oxo-1-(p-tolylmethyl)pyrrole-3-carboxylate CAS Name: (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-methyl-1-[(4-methylphenyl)methyl]-5-oxo-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrole-3-carboxylate Traditional Name: (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-5-keto-2-methyl-1-(4-methylbenzyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C23H20BrNO5 MolecularWeight: 470.3126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=CC3=CC4=C(C=C3Br)OCO4)C2=O)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(/C(=C/C3=CC4=C(C=C3Br)OCO4)/C2=O)C(=O)OC)C

InChI

InChI=1S/C23H20BrNO5/c1-13-4-6-15(7-5-13)11-25-14(2)21(23(27)28-3)17(22(25)26)8-16-9-19-20(10-18(16)24)30-12-29-19/h4-10H,11-12H2,1-3H3/b17-8-