[(E)-3-phenylprop-2-enyl] 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: [(E)-3-phenylprop-2-enyl] 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: [(E)-cinnamyl] 2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(5-nitro-1,3-dioxo-2-isoindolyl)acetic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] 2-(5-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetic acid [(E)-cinnamyl] ester Formula: C19H14N2O6 MolecularWeight: 366.32426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCOC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/COC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H14N2O6/c22-17(27-10-4-7-13-5-2-1-3-6-13)12-20-18(23)15-9-8-14(21(25)26)11-16(15)19(20)24/h1-9,11H,10,12H2/b7-4+