methyl 2-[(2-bromanyl-5-methoxy-phenyl)methyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[(2-bromanyl-5-methoxy-phenyl)methyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[(2-bromo-5-methoxy-phenyl)methyl]-3-oxo-butanoate CAS Name: 2-[(2-bromo-5-methoxyphenyl)methyl]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[(2-bromo-5-methoxyphenyl)methyl]-3-oxobutanoate Traditional Name: 2-(2-bromo-5-methoxy-benzyl)-3-keto-butyric acid methyl ester Formula: C13H15BrO4 MolecularWeight: 315.1598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrO4/c1-8(15)11(13(16)18-3)7-9-6-10(17-2)4-5-12(9)14/h4-6,11H,7H2,1-3H3