methyl 2-[(2-bromophenyl)methyl]-3-oxidanylidene-pentanoate

Systemtic Name: methyl 2-[(2-bromophenyl)methyl]-3-oxidanylidene-pentanoate Openeye Name: methyl 2-[(2-bromophenyl)methyl]-3-oxo-pentanoate CAS Name: 2-[(2-bromophenyl)methyl]-3-oxopentanoic acid methyl ester IUPAC Name: methyl 2-[(2-bromophenyl)methyl]-3-oxopentanoate Traditional Name: 2-(2-bromobenzyl)-3-keto-valeric acid methyl ester Formula: C13H15BrO3 MolecularWeight: 299.1604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrO3/c1-3-12(15)10(13(16)17-2)8-9-6-4-5-7-11(9)14/h4-7,10H,3,8H2,1-2H3