phenacyl (2R)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: phenacyl (2R)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: phenacyl (2R)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: (2R)-2-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid phenacyl ester IUPAC Name: phenacyl (2R)-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: (2R)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid phenacyl ester Formula: C19H14N2O7 MolecularWeight: 382.32366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC=CC=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)OCC(=O)C1=CC=CC=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H14N2O7/c1-11(19(25)28-10-15(22)12-6-3-2-4-7-12)20-17(23)13-8-5-9-14(21(26)27)16(13)18(20)24/h2-9,11H,10H2,1H3/t11-/m1/s1