[1-acetyloxy-1-(4-nitrophenyl)-3-oxidanyl-propan-2-yl]azanium

Systemtic Name: [1-acetyloxy-1-(4-nitrophenyl)-3-oxidanyl-propan-2-yl]azanium Openeye Name: [2-acetoxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]ammonium CAS Name: [1-acetyloxy-3-hydroxy-1-(4-nitrophenyl)propan-2-yl]ammonium IUPAC Name: [1-acetyloxy-3-hydroxy-1-(4-nitrophenyl)propan-2-yl]azanium Traditional Name: [2-acetoxy-1-methylol-2-(4-nitrophenyl)ethyl]ammonium Formula: C11H15N2O5+ MolecularWeight: 255.2472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=C(C=C1)[N+](=O)[O-])C(CO)[NH3+]

Isomeric SMILES

CC(=O)OC(C1=CC=C(C=C1)[N+](=O)[O-])C(CO)[NH3+]

InChI

InChI=1S/C11H14N2O5/c1-7(15)18-11(10(12)6-14)8-2-4-9(5-3-8)13(16)17/h2-5,10-11,14H,6,12H2,1H3/p+1