(phenylmethyl) 4-[3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoyloxy]benzoate

Systemtic Name: (phenylmethyl) 4-[3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoyloxy]benzoate Openeye Name: benzyl 4-[3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoyloxy]benzoate CAS Name: 4-[3-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropoxy]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoyloxy]benzoate Traditional Name: 4-[3-(1,3-diketo-4-nitro-isoindolin-2-yl)propanoyloxy]benzoic acid benzyl ester Formula: C25H18N2O8 MolecularWeight: 474.41902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)OC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)OC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H18N2O8/c28-21(13-14-26-23(29)19-7-4-8-20(27(32)33)22(19)24(26)30)35-18-11-9-17(10-12-18)25(31)34-15-16-5-2-1-3-6-16/h1-12H,13-15H2