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

Systemtic Name: 3-[3-(methylamino)-4-nitro-phenoxy]propane-1,2-diol Openeye Name: 3-[3-(methylamino)-4-nitro-phenoxy]propane-1,2-diol CAS Name: 3-[3-(methylamino)-4-nitrophenoxy]propane-1,2-diol IUPAC Name: 3-[3-(methylamino)-4-nitrophenoxy]propane-1,2-diol Traditional Name: 3-[3-(methylamino)-4-nitro-phenoxy]propane-1,2-diol Formula: C10H14N2O5 MolecularWeight: 242.22856

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)OCC(CO)O)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=CC(=C1)OCC(CO)O)[N+](=O)[O-]

InChI

InChI=1S/C10H14N2O5/c1-11-9-4-8(17-6-7(14)5-13)2-3-10(9)12(15)16/h2-4,7,11,13-14H,5-6H2,1H3