methyl (Z)-2-(3-bromanylpyridin-1-ium-1-yl)-3-methoxy-3-oxidanyl-prop-2-enoate

Systemtic Name: methyl (Z)-2-(3-bromanylpyridin-1-ium-1-yl)-3-methoxy-3-oxidanyl-prop-2-enoate Openeye Name: methyl (Z)-2-(3-bromopyridin-1-ium-1-yl)-3-hydroxy-3-methoxy-prop-2-enoate CAS Name: (Z)-2-(3-bromo-1-pyridin-1-iumyl)-3-hydroxy-3-methoxy-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-(3-bromopyridin-1-ium-1-yl)-3-hydroxy-3-methoxyprop-2-enoate Traditional Name: (Z)-2-(3-bromopyridin-1-ium-1-yl)-3-hydroxy-3-methoxy-acrylic acid methyl ester Formula: C10H11BrNO4+ MolecularWeight: 289.10264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C(C(=O)OC)[N+]1=CC=CC(=C1)Br)O

Isomeric SMILES

CO/C(=C(/C(=O)OC)\[N+]1=CC=CC(=C1)Br)/O

InChI

InChI=1S/C10H10BrNO4/c1-15-9(13)8(10(14)16-2)12-5-3-4-7(11)6-12/h3-6H,1-2H3/p+1