methyl (4Z)-4-[(5-bromanyl-2-oxidanyl-phenyl)methylidene]-2-methyl-5-oxidanylidene-1-prop-2-enyl-pyrrole-3-carboxylate

Systemtic Name: methyl (4Z)-4-[(5-bromanyl-2-oxidanyl-phenyl)methylidene]-2-methyl-5-oxidanylidene-1-prop-2-enyl-pyrrole-3-carboxylate Openeye Name: methyl (4Z)-1-allyl-4-[(5-bromo-2-hydroxy-phenyl)methylene]-2-methyl-5-oxo-pyrrole-3-carboxylate CAS Name: (4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2-methyl-5-oxo-1-prop-2-enyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-4-[(5-bromo-2-hydroxyphenyl)methylidene]-2-methyl-5-oxo-1-prop-2-enylpyrrole-3-carboxylate Traditional Name: (4Z)-1-allyl-4-(5-bromo-2-hydroxy-benzylidene)-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C17H16BrNO4 MolecularWeight: 378.21724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=C(C=CC(=C2)Br)O)C(=O)N1CC=C)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C/C2=C(C=CC(=C2)Br)O)/C(=O)N1CC=C)C(=O)OC

InChI

InChI=1S/C17H16BrNO4/c1-4-7-19-10(2)15(17(22)23-3)13(16(19)21)9-11-8-12(18)5-6-14(11)20/h4-6,8-9,20H,1,7H2,2-3H3/b13-9-