1-[3-nitro-5-(3-phenylprop-2-ynoxy)phenyl]propane-1,2-diol

Systemtic Name: 1-[3-nitro-5-(3-phenylprop-2-ynoxy)phenyl]propane-1,2-diol Openeye Name: 1-[3-nitro-5-(3-phenylprop-2-ynoxy)phenyl]propane-1,2-diol CAS Name: 1-[3-nitro-5-(3-phenylprop-2-ynoxy)phenyl]propane-1,2-diol IUPAC Name: 1-[3-nitro-5-(3-phenylprop-2-ynoxy)phenyl]propane-1,2-diol Traditional Name: 1-[3-nitro-5-(3-phenylprop-2-ynoxy)phenyl]propane-1,2-diol Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC(=CC(=C1)OCC#CC2=CC=CC=C2)[N+](=O)[O-])O)O

Isomeric SMILES

CC(C(C1=CC(=CC(=C1)OCC#CC2=CC=CC=C2)[N+](=O)[O-])O)O

InChI

InChI=1S/C18H17NO5/c1-13(20)18(21)15-10-16(19(22)23)12-17(11-15)24-9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-13,18,20-21H,9H2,1H3