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

Systemtic Name: 2-(4-propoxyphenoxy)ethyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: 2-(4-propoxyphenoxy)ethyl 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid 2-(4-propoxyphenoxy)ethyl ester IUPAC Name: 2-(4-propoxyphenoxy)ethyl 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid 2-(4-propoxyphenoxy)ethyl ester Formula: C21H20N2O8 MolecularWeight: 428.3921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OCCOC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)OCCOC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O8/c1-2-10-29-14-6-8-15(9-7-14)30-11-12-31-18(24)13-22-20(25)16-4-3-5-17(23(27)28)19(16)21(22)26/h3-9H,2,10-13H2,1H3