3-nitro-4-[[3,4,5-tris(oxidanyl)oxan-2-yl]amino]benzoic acid

Systemtic Name: 3-nitro-4-[[3,4,5-tris(oxidanyl)oxan-2-yl]amino]benzoic acid Openeye Name: 3-nitro-4-[(3,4,5-trihydroxytetrahydropyran-2-yl)amino]benzoic acid CAS Name: 3-nitro-4-[(3,4,5-trihydroxy-2-oxanyl)amino]benzoic acid IUPAC Name: 3-nitro-4-[(3,4,5-trihydroxyoxan-2-yl)amino]benzoic acid Traditional Name: 3-nitro-4-[(3,4,5-trihydroxytetrahydropyran-2-yl)amino]benzoic acid Formula: C12H14N2O8 MolecularWeight: 314.24816

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])O)O)O

Isomeric SMILES

C1C(C(C(C(O1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])O)O)O

InChI

InChI=1S/C12H14N2O8/c15-8-4-22-11(10(17)9(8)16)13-6-2-1-5(12(18)19)3-7(6)14(20)21/h1-3,8-11,13,15-17H,4H2,(H,18,19)