(E)-4-azanyl-4-oxidanylidene-2-[3,4,5-tris(oxidanyl)oxan-2-yl]oxy-but-2-enoic acid

Systemtic Name: (E)-4-azanyl-4-oxidanylidene-2-[3,4,5-tris(oxidanyl)oxan-2-yl]oxy-but-2-enoic acid Openeye Name: (E)-4-amino-4-oxo-2-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-but-2-enoic acid CAS Name: (E)-4-amino-4-oxo-2-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-butenoic acid IUPAC Name: (E)-4-amino-4-oxo-2-(3,4,5-trihydroxyoxan-2-yl)oxybut-2-enoic acid Traditional Name: (E)-4-amino-4-keto-2-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-but-2-enoic acid Formula: C9H13NO8 MolecularWeight: 263.20142

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)OC(=CC(=O)N)C(=O)O)O)O)O

Isomeric SMILES

C1C(C(C(C(O1)O/C(=C/C(=O)N)/C(=O)O)O)O)O

InChI

InChI=1S/C9H13NO8/c10-5(12)1-4(8(15)16)18-9-7(14)6(13)3(11)2-17-9/h1,3,6-7,9,11,13-14H,2H2,(H2,10,12)(H,15,16)/b4-1+