(3-phenoxyphenyl)methyl 3-methyl-2-(4-nitro-1,3-dihydroisoindol-2-yl)butanoate

Systemtic Name: (3-phenoxyphenyl)methyl 3-methyl-2-(4-nitro-1,3-dihydroisoindol-2-yl)butanoate Openeye Name: (3-phenoxyphenyl)methyl 3-methyl-2-(4-nitroisoindolin-2-yl)butanoate CAS Name: 3-methyl-2-(4-nitro-1,3-dihydroisoindol-2-yl)butanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 3-methyl-2-(4-nitro-1,3-dihydroisoindol-2-yl)butanoate Traditional Name: 3-methyl-2-(4-nitroisoindolin-2-yl)butyric acid (3-phenoxybenzyl) ester Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2)N3CC4=C(C3)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2)N3CC4=C(C3)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H26N2O5/c1-18(2)25(27-15-20-9-7-13-24(28(30)31)23(20)16-27)26(29)32-17-19-8-6-12-22(14-19)33-21-10-4-3-5-11-21/h3-14,18,25H,15-17H2,1-2H3