(4-ethanoylphenyl) 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: (4-ethanoylphenyl) 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (4-acetylphenyl) 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid (4-acetylphenyl) ester Formula: C18H12N2O7 MolecularWeight: 368.29708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N2O7/c1-10(21)11-5-7-12(8-6-11)27-15(22)9-19-17(23)13-3-2-4-14(20(25)26)16(13)18(19)24/h2-8H,9H2,1H3