(3S,4S,5R)-2-[(2-methyl-5-nitro-phenyl)amino]oxane-3,4,5-triol

Systemtic Name: (3S,4S,5R)-2-[(2-methyl-5-nitro-phenyl)amino]oxane-3,4,5-triol Openeye Name: (3S,4S,5R)-2-(2-methyl-5-nitro-anilino)tetrahydropyran-3,4,5-triol CAS Name: (3S,4S,5R)-2-(2-methyl-5-nitroanilino)oxane-3,4,5-triol IUPAC Name: (3S,4S,5R)-2-(2-methyl-5-nitroanilino)oxane-3,4,5-triol Traditional Name: (3S,4S,5R)-2-(2-methyl-5-nitro-anilino)tetrahydropyran-3,4,5-triol Formula: C12H16N2O6 MolecularWeight: 284.26524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC2C(C(C(CO2)O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC2[C@H]([C@H]([C@@H](CO2)O)O)O

InChI

InChI=1S/C12H16N2O6/c1-6-2-3-7(14(18)19)4-8(6)13-12-11(17)10(16)9(15)5-20-12/h2-4,9-13,15-17H,5H2,1H3/t9-,10+,11+,12?/m1/s1