1-benzofuran-2-ylmethyl (4-nitro-3-pyridin-3-yl-phenyl) carbonate

Systemtic Name: 1-benzofuran-2-ylmethyl (4-nitro-3-pyridin-3-yl-phenyl) carbonate Openeye Name: benzofuran-2-ylmethyl [4-nitro-3-(3-pyridyl)phenyl] carbonate CAS Name: carbonic acid 2-benzofuranylmethyl [4-nitro-3-(3-pyridinyl)phenyl] ester IUPAC Name: 1-benzofuran-2-ylmethyl (4-nitro-3-pyridin-3-ylphenyl) carbonate Traditional Name: carbonic acid benzofuran-2-ylmethyl [4-nitro-3-(3-pyridyl)phenyl] ester Formula: C21H14N2O6 MolecularWeight: 390.34566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)COC(=O)OC3=CC(=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)COC(=O)OC3=CC(=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

InChI

InChI=1S/C21H14N2O6/c24-21(27-13-17-10-14-4-1-2-6-20(14)28-17)29-16-7-8-19(23(25)26)18(11-16)15-5-3-9-22-12-15/h1-12H,13H2