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

Systemtic Name: methyl (5E)-5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-2-methyl-4-oxidanylidene-3H-pyrrole-3-carboxylate Openeye Name: methyl (5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-2-methyl-4-oxo-3H-pyrrole-3-carboxylate CAS Name: (5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-methyl-4-oxo-3H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl (5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-methyl-4-oxo-3H-pyrrole-3-carboxylate Traditional Name: (5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-4-keto-2-methyl-1-pyrroline-3-carboxylic acid methyl ester Formula: C15H12BrNO5 MolecularWeight: 366.16348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=CC3=C(C=C2Br)OCO3)C(=O)C1C(=O)OC

Isomeric SMILES

CC1=N/C(=C/C2=CC3=C(C=C2Br)OCO3)/C(=O)C1C(=O)OC

InChI

InChI=1S/C15H12BrNO5/c1-7-13(15(19)20-2)14(18)10(17-7)3-8-4-11-12(5-9(8)16)22-6-21-11/h3-5,13H,6H2,1-2H3/b10-3+