3-[3-(butylamino)-4-nitro-phenoxy]propane-1,2-diol

Systemtic Name: 3-[3-(butylamino)-4-nitro-phenoxy]propane-1,2-diol Openeye Name: 3-[3-(butylamino)-4-nitro-phenoxy]propane-1,2-diol CAS Name: 3-[3-(butylamino)-4-nitrophenoxy]propane-1,2-diol IUPAC Name: 3-[3-(butylamino)-4-nitrophenoxy]propane-1,2-diol Traditional Name: 3-[3-(butylamino)-4-nitro-phenoxy]propane-1,2-diol Formula: C13H20N2O5 MolecularWeight: 284.3083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=CC(=C1)OCC(CO)O)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=CC(=C1)OCC(CO)O)[N+](=O)[O-]

InChI

InChI=1S/C13H20N2O5/c1-2-3-6-14-12-7-11(20-9-10(17)8-16)4-5-13(12)15(18)19/h4-5,7,10,14,16-17H,2-3,6,8-9H2,1H3