(3S)-4-[(4,5-dimethoxy-2-oxidanyl-phenyl)amino]-3-oxidanyl-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[(4,5-dimethoxy-2-oxidanyl-phenyl)amino]-3-oxidanyl-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-hydroxy-4-(2-hydroxy-4,5-dimethoxy-anilino)-4-oxo-butanoic acid CAS Name: (3S)-3-hydroxy-4-(2-hydroxy-4,5-dimethoxyanilino)-4-oxobutanoic acid IUPAC Name: (3S)-3-hydroxy-4-(2-hydroxy-4,5-dimethoxyanilino)-4-oxobutanoic acid Traditional Name: (3S)-3-hydroxy-4-(2-hydroxy-4,5-dimethoxy-anilino)-4-keto-butyric acid Formula: C12H15NO7 MolecularWeight: 285.25

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NC(=O)C(CC(=O)O)O)O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)NC(=O)[C@H](CC(=O)O)O)O)OC

InChI

InChI=1S/C12H15NO7/c1-19-9-3-6(7(14)4-10(9)20-2)13-12(18)8(15)5-11(16)17/h3-4,8,14-15H,5H2,1-2H3,(H,13,18)(H,16,17)/t8-/m0/s1