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

Systemtic Name: butyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: butyl 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid butyl ester IUPAC Name: butyl 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid butyl ester Formula: C14H14N2O6 MolecularWeight: 306.27076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O6/c1-2-3-7-22-11(17)8-15-13(18)9-5-4-6-10(16(20)21)12(9)14(15)19/h4-6H,2-3,7-8H2,1H3