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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC3=C(C=C2Br)OCO3)C(=O)N1)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C/C2=CC3=C(C=C2Br)OCO3)/C(=O)N1)C(=O)OC

InChI

InChI=1S/C15H12BrNO5/c1-7-13(15(19)20-2)9(14(18)17-7)3-8-4-11-12(5-10(8)16)22-6-21-11/h3-5H,6H2,1-2H3,(H,17,18)/b9-3-