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

Systemtic Name: 2-chloranylprop-2-enyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: 2-chloroallyl 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid 2-chloroprop-2-enyl ester IUPAC Name: 2-chloroprop-2-enyl 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid 2-chloroallyl ester Formula: C13H9ClN2O6 MolecularWeight: 324.67336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClN2O6/c1-7(14)6-22-10(17)5-15-12(18)8-3-2-4-9(16(20)21)11(8)13(15)19/h2-4H,1,5-6H2