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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC3=C(C=C2Br)OCO3)C(=O)N1CCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C/C2=CC3=C(C=C2Br)OCO3)/C(=O)N1CCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C23H20BrNO5/c1-14-21(23(27)28-2)17(10-16-11-19-20(12-18(16)24)30-13-29-19)22(26)25(14)9-8-15-6-4-3-5-7-15/h3-7,10-12H,8-9,13H2,1-2H3/b17-10-