3-[2,3-bis(oxidanyl)propyl-(2-chloranyl-4-nitro-phenyl)amino]propane-1,2-diol

Systemtic Name: 3-[2,3-bis(oxidanyl)propyl-(2-chloranyl-4-nitro-phenyl)amino]propane-1,2-diol Openeye Name: 3-[2-chloro-N-(2,3-dihydroxypropyl)-4-nitro-anilino]propane-1,2-diol CAS Name: 3-[2-chloro-N-(2,3-dihydroxypropyl)-4-nitroanilino]propane-1,2-diol IUPAC Name: 3-[2-chloro-N-(2,3-dihydroxypropyl)-4-nitroanilino]propane-1,2-diol Traditional Name: 3-(2-chloro-N-glyceryl-4-nitro-anilino)propane-1,2-diol Formula: C12H17ClN2O6 MolecularWeight: 320.72618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Cl)N(CC(CO)O)CC(CO)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)N(CC(CO)O)CC(CO)O

InChI

InChI=1S/C12H17ClN2O6/c13-11-3-8(15(20)21)1-2-12(11)14(4-9(18)6-16)5-10(19)7-17/h1-3,9-10,16-19H,4-7H2