(2S)-2-azanyl-3-[11-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]undecoxy]propan-1-ol

Systemtic Name: (2S)-2-azanyl-3-[11-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]undecoxy]propan-1-ol Openeye Name: (2S)-2-amino-3-[11-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]undecoxy]propan-1-ol CAS Name: (2S)-2-amino-3-[11-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]undecoxy]-1-propanol IUPAC Name: (2S)-2-amino-3-[11-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]undecoxy]propan-1-ol Traditional Name: (2S)-2-amino-3-[11-[(7-nitrobenzofurazan-4-yl)amino]undecoxy]propan-1-ol Formula: C20H33N5O5 MolecularWeight: 423.50652

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NCCCCCCCCCCCOCC(CO)N

Isomeric SMILES

C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NCCCCCCCCCCCOC[C@H](CO)N

InChI

InChI=1S/C20H33N5O5/c21-16(14-26)15-29-13-9-7-5-3-1-2-4-6-8-12-22-17-10-11-18(25(27)28)20-19(17)23-30-24-20/h10-11,16,22,26H,1-9,12-15,21H2/t16-/m0/s1