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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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