3-[2-azanyl-5-[2,3-bis(oxidanyl)propylamino]-3-chloranyl-6-nitro-phenyl]propane-1,2-diol

Systemtic Name: 3-[2-azanyl-5-[2,3-bis(oxidanyl)propylamino]-3-chloranyl-6-nitro-phenyl]propane-1,2-diol Openeye Name: 3-[2-amino-3-chloro-5-(2,3-dihydroxypropylamino)-6-nitro-phenyl]propane-1,2-diol CAS Name: 3-[2-amino-3-chloro-5-(2,3-dihydroxypropylamino)-6-nitrophenyl]propane-1,2-diol IUPAC Name: 3-[2-amino-3-chloro-5-(2,3-dihydroxypropylamino)-6-nitrophenyl]propane-1,2-diol Traditional Name: 3-[2-amino-3-chloro-5-(glycerylamino)-6-nitro-phenyl]propane-1,2-diol Formula: C12H18ClN3O6 MolecularWeight: 335.74082

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1Cl)N)CC(CO)O)[N+](=O)[O-])NCC(CO)O

Isomeric SMILES

C1=C(C(=C(C(=C1Cl)N)CC(CO)O)[N+](=O)[O-])NCC(CO)O

InChI

InChI=1S/C12H18ClN3O6/c13-9-2-10(15-3-7(20)5-18)12(16(21)22)8(11(9)14)1-6(19)4-17/h2,6-7,15,17-20H,1,3-5,14H2