(2-chlorophenyl)methyl 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: (2-chlorophenyl)methyl 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (2-chlorophenyl)methyl 2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(5-nitro-1,3-dioxo-2-isoindolyl)acetic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 2-(5-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetic acid (2-chlorobenzyl) ester Formula: C17H11ClN2O6 MolecularWeight: 374.73204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN2O6/c18-14-4-2-1-3-10(14)9-26-15(21)8-19-16(22)12-6-5-11(20(24)25)7-13(12)17(19)23/h1-7H,8-9H2