[3-nitro-2-[(E)-2-nitroethenyl]-6-phenylmethoxy-phenyl] ethanoate

Systemtic Name: [3-nitro-2-[(E)-2-nitroethenyl]-6-phenylmethoxy-phenyl] ethanoate Openeye Name: [6-benzyloxy-3-nitro-2-[(E)-2-nitrovinyl]phenyl] acetate CAS Name: acetic acid [3-nitro-2-[(E)-2-nitroethenyl]-6-phenylmethoxyphenyl] ester IUPAC Name: [3-nitro-2-[(E)-2-nitroethenyl]-6-phenylmethoxyphenyl] acetate Traditional Name: acetic acid [6-benzoxy-3-nitro-2-[(E)-2-nitrovinyl]phenyl] ester Formula: C17H14N2O7 MolecularWeight: 358.30226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1C=C[N+](=O)[O-])[N+](=O)[O-])OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1/C=C/[N+](=O)[O-])[N+](=O)[O-])OCC2=CC=CC=C2

InChI

InChI=1S/C17H14N2O7/c1-12(20)26-17-14(9-10-18(21)22)15(19(23)24)7-8-16(17)25-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3/b10-9+