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

Systemtic Name: (4-nitrophenyl)methyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (4-nitrophenyl)methyl 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid (4-nitrobenzyl) ester Formula: C17H11N3O8 MolecularWeight: 385.28454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O8/c21-14(28-9-10-4-6-11(7-5-10)19(24)25)8-18-16(22)12-2-1-3-13(20(26)27)15(12)17(18)23/h1-7H,8-9H2