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

Systemtic Name: methyl (4Z)-4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-2-methyl-5-oxidanylidene-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: methyl (4Z)-1-benzyl-4-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-2-methyl-5-oxo-pyrrole-3-carboxylate CAS Name: (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-methyl-5-oxo-1-(phenylmethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-1-benzyl-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate Traditional Name: (4Z)-1-benzyl-4-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C22H18BrNO5 MolecularWeight: 456.28602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC3=C(C=C2Br)OCO3)C(=O)N1CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C/C2=CC3=C(C=C2Br)OCO3)/C(=O)N1CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H18BrNO5/c1-13-20(22(26)27-2)16(21(25)24(13)11-14-6-4-3-5-7-14)8-15-9-18-19(10-17(15)23)29-12-28-18/h3-10H,11-12H2,1-2H3/b16-8-