2-[[3-(2,4-dimethylphenoxy)-2-oxidanyl-propyl]amino]-1-(4-nitrophenyl)propane-1,3-diol

Systemtic Name: 2-[[3-(2,4-dimethylphenoxy)-2-oxidanyl-propyl]amino]-1-(4-nitrophenyl)propane-1,3-diol Openeye Name: 2-[[3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]amino]-1-(4-nitrophenyl)propane-1,3-diol CAS Name: 2-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-1-(4-nitrophenyl)propane-1,3-diol IUPAC Name: 2-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-1-(4-nitrophenyl)propane-1,3-diol Traditional Name: 2-[[3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]amino]-1-(4-nitrophenyl)propane-1,3-diol Formula: C20H26N2O6 MolecularWeight: 390.43024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(CNC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(CNC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O)O)C

InChI

InChI=1S/C20H26N2O6/c1-13-3-8-19(14(2)9-13)28-12-17(24)10-21-18(11-23)20(25)15-4-6-16(7-5-15)22(26)27/h3-9,17-18,20-21,23-25H,10-12H2,1-2H3