2-[2,3-bis(oxidanyl)propoxy]-4-nitro-3-phenyl-benzoate

Systemtic Name: 2-[2,3-bis(oxidanyl)propoxy]-4-nitro-3-phenyl-benzoate Openeye Name: 2-(2,3-dihydroxypropoxy)-4-nitro-3-phenyl-benzoate CAS Name: 2-(2,3-dihydroxypropoxy)-4-nitro-3-phenylbenzoate IUPAC Name: 2-(2,3-dihydroxypropoxy)-4-nitro-3-phenylbenzoate Traditional Name: 2-glyceryloxy-4-nitro-3-phenyl-benzoate Formula: C16H14NO7- MolecularWeight: 332.28486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2OCC(CO)O)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2OCC(CO)O)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H15NO7/c18-8-11(19)9-24-15-12(16(20)21)6-7-13(17(22)23)14(15)10-4-2-1-3-5-10/h1-7,11,18-19H,8-9H2,(H,20,21)/p-1