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

Systemtic Name: (3-chlorophenyl)methyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (3-chlorophenyl)methyl 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid (3-chlorobenzyl) ester Formula: C17H11ClN2O6 MolecularWeight: 374.73204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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