dimethyl 2-[(E)-3-(2-bromophenyl)prop-2-enyl]propanedioate

Systemtic Name: dimethyl 2-[(E)-3-(2-bromophenyl)prop-2-enyl]propanedioate Openeye Name: dimethyl 2-[(E)-3-(2-bromophenyl)allyl]propanedioate CAS Name: 2-[(E)-3-(2-bromophenyl)prop-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-3-(2-bromophenyl)prop-2-enyl]propanedioate Traditional Name: 2-[(E)-3-(2-bromophenyl)allyl]malonic acid dimethyl ester Formula: C14H15BrO4 MolecularWeight: 327.1705

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=CC1=CC=CC=C1Br)C(=O)OC

Isomeric SMILES

COC(=O)C(C/C=C/C1=CC=CC=C1Br)C(=O)OC

InChI

InChI=1S/C14H15BrO4/c1-18-13(16)11(14(17)19-2)8-5-7-10-6-3-4-9-12(10)15/h3-7,9,11H,8H2,1-2H3/b7-5+