(2S,3S,4S,5R,6S)-6-(2-azanyl-4-nitro-phenoxy)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6S)-6-(2-azanyl-4-nitro-phenoxy)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6S)-6-(2-amino-4-nitro-phenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6S)-6-(2-amino-4-nitrophenoxy)-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6S)-6-(2-amino-4-nitrophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6S)-6-(2-amino-4-nitro-phenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C12H14N2O9 MolecularWeight: 330.24756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])N)OC2C(C(C(C(O2)C(=O)O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

InChI

InChI=1S/C12H14N2O9/c13-5-3-4(14(20)21)1-2-6(5)22-12-9(17)7(15)8(16)10(23-12)11(18)19/h1-3,7-10,12,15-17H,13H2,(H,18,19)/t7-,8-,9+,10-,12+/m0/s1