methyl (2E)-2-[(4-bromophenyl)methylidene]-4-oxidanylidene-pentanoate

Systemtic Name: methyl (2E)-2-[(4-bromophenyl)methylidene]-4-oxidanylidene-pentanoate Openeye Name: methyl (2E)-2-[(4-bromophenyl)methylene]-4-oxo-pentanoate CAS Name: (2E)-2-[(4-bromophenyl)methylidene]-4-oxopentanoic acid methyl ester IUPAC Name: methyl (2E)-2-[(4-bromophenyl)methylidene]-4-oxopentanoate Traditional Name: (E)-2-acetonyl-3-(4-bromophenyl)acrylic acid methyl ester Formula: C13H13BrO3 MolecularWeight: 297.14452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=CC1=CC=C(C=C1)Br)C(=O)OC

Isomeric SMILES

CC(=O)C/C(=C\C1=CC=C(C=C1)Br)/C(=O)OC

InChI

InChI=1S/C13H13BrO3/c1-9(15)7-11(13(16)17-2)8-10-3-5-12(14)6-4-10/h3-6,8H,7H2,1-2H3/b11-8+