(2R)-3-(1H-imidazol-5-yl)-2-(2-methyl-6-oxidanyl-4-oxidanylidene-pyridin-1-yl)propanoate

Systemtic Name: (2R)-3-(1H-imidazol-5-yl)-2-(2-methyl-6-oxidanyl-4-oxidanylidene-pyridin-1-yl)propanoate Openeye Name: (2R)-2-(2-hydroxy-6-methyl-4-oxo-1-pyridyl)-3-(1H-imidazol-5-yl)propanoate CAS Name: (2R)-2-(2-hydroxy-6-methyl-4-oxo-1-pyridinyl)-3-(1H-imidazol-5-yl)propanoate IUPAC Name: (2R)-2-(2-hydroxy-6-methyl-4-oxopyridin-1-yl)-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2R)-2-(2-hydroxy-4-keto-6-methyl-1-pyridyl)-3-(1H-imidazol-5-yl)propionate Formula: C12H12N3O4- MolecularWeight: 262.24138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C=C(N1C(CC2=CN=CN2)C(=O)[O-])O

Isomeric SMILES

CC1=CC(=O)C=C(N1[C@H](CC2=CN=CN2)C(=O)[O-])O

InChI

InChI=1S/C12H13N3O4/c1-7-2-9(16)4-11(17)15(7)10(12(18)19)3-8-5-13-6-14-8/h2,4-6,10,17H,3H2,1H3,(H,13,14)(H,18,19)/p-1/t10-/m1/s1