[2-ethoxycarbonyloxy-3-nitro-4-(3-phenylpropanoyl)phenyl] ethyl carbonate

Systemtic Name: [2-ethoxycarbonyloxy-3-nitro-4-(3-phenylpropanoyl)phenyl] ethyl carbonate Openeye Name: [2-ethoxycarbonyloxy-3-nitro-4-(3-phenylpropanoyl)phenyl] ethyl carbonate CAS Name: carbonic acid [2-ethoxycarbonyloxy-3-nitro-4-(1-oxo-3-phenylpropyl)phenyl] ethyl ester IUPAC Name: [2-ethoxycarbonyloxy-3-nitro-4-(3-phenylpropanoyl)phenyl] ethyl carbonate Traditional Name: carbonic acid (2-carbethoxyoxy-4-hydrocinnamoyl-3-nitro-phenyl) ethyl ester Formula: C21H21NO9 MolecularWeight: 431.39274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C(C(=C(C=C1)C(=O)CCC2=CC=CC=C2)[N+](=O)[O-])OC(=O)OCC

Isomeric SMILES

CCOC(=O)OC1=C(C(=C(C=C1)C(=O)CCC2=CC=CC=C2)[N+](=O)[O-])OC(=O)OCC

InChI

InChI=1S/C21H21NO9/c1-3-28-20(24)30-17-13-11-15(16(23)12-10-14-8-6-5-7-9-14)18(22(26)27)19(17)31-21(25)29-4-2/h5-9,11,13H,3-4,10,12H2,1-2H3