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

Systemtic Name: (phenylmethyl) 4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: benzyl 4-(4-nitro-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 4-(4-nitro-1,3-dioxo-2-isoindolyl)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-(1,3-diketo-4-nitro-isoindolin-2-yl)benzoic acid benzyl ester Formula: C22H14N2O6 MolecularWeight: 402.35636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)N3C(=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)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H14N2O6/c25-20-17-7-4-8-18(24(28)29)19(17)21(26)23(20)16-11-9-15(10-12-16)22(27)30-13-14-5-2-1-3-6-14/h1-12H,13H2