(6-chloranylpyridin-3-yl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: (6-chloro-3-pyridyl)methyl 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid (6-chloro-3-pyridyl)methyl ester Formula: C17H15BrClNO4 MolecularWeight: 412.6623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC2=CN=C(C=C2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC2=CN=C(C=C2)Cl

InChI

InChI=1S/C17H15BrClNO4/c1-23-15-5-3-12(18)8-13(15)14(21)4-7-17(22)24-10-11-2-6-16(19)20-9-11/h2-3,5-6,8-9H,4,7,10H2,1H3