methyl (2E)-2-[(4-bromophenyl)methylidene]-3-oxidanylidene-heptanoate

Systemtic Name: methyl (2E)-2-[(4-bromophenyl)methylidene]-3-oxidanylidene-heptanoate Openeye Name: methyl (2E)-2-[(4-bromophenyl)methylene]-3-oxo-heptanoate CAS Name: (2E)-2-[(4-bromophenyl)methylidene]-3-oxoheptanoic acid methyl ester IUPAC Name: methyl (2E)-2-[(4-bromophenyl)methylidene]-3-oxoheptanoate Traditional Name: (E)-3-(4-bromophenyl)-2-valeryl-acrylic acid methyl ester Formula: C15H17BrO3 MolecularWeight: 325.19768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrO3/c1-3-4-5-14(17)13(15(18)19-2)10-11-6-8-12(16)9-7-11/h6-10H,3-5H2,1-2H3/b13-10+