methyl (Z,5S)-3-methoxy-5-(1-oxidanidylpyridin-1-ium-2-yl)-5-oxidanyl-pent-2-enoate

Systemtic Name: methyl (Z,5S)-3-methoxy-5-(1-oxidanidylpyridin-1-ium-2-yl)-5-oxidanyl-pent-2-enoate Openeye Name: methyl (Z,5S)-5-hydroxy-3-methoxy-5-(1-oxidopyridin-1-ium-2-yl)pent-2-enoate CAS Name: (Z,5S)-5-hydroxy-3-methoxy-5-(1-oxido-2-pyridin-1-iumyl)-2-pentenoic acid methyl ester IUPAC Name: methyl (Z,5S)-5-hydroxy-3-methoxy-5-(1-oxidopyridin-1-ium-2-yl)pent-2-enoate Traditional Name: (Z,5S)-5-hydroxy-3-methoxy-5-(1-oxidopyridin-1-ium-2-yl)pent-2-enoic acid methyl ester Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5/c1-17-9(8-12(15)18-2)7-11(14)10-5-3-4-6-13(10)16/h3-6,8,11,14H,7H2,1-2H3/b9-8-/t11-/m0/s1