(3-nitrophenyl)methyl 1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxylate

Systemtic Name: (3-nitrophenyl)methyl 1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxylate Openeye Name: (3-nitrophenyl)methyl 2-benzyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(phenylmethyl)-5-isoindolecarboxylic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 2-benzyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-benzyl-1,3-diketo-isoindoline-5-carboxylic acid (3-nitrobenzyl) ester Formula: C23H16N2O6 MolecularWeight: 416.38294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H16N2O6/c26-21-19-10-9-17(23(28)31-14-16-7-4-8-18(11-16)25(29)30)12-20(19)22(27)24(21)13-15-5-2-1-3-6-15/h1-12H,13-14H2