(4-bromophenyl)methyl 2-(4-methyl-2-nitro-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (4-bromophenyl)methyl 2-(4-methyl-2-nitro-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (4-bromophenyl)methyl 2-(4-methyl-2-nitro-phenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-methyl-2-nitrophenyl)-1,3-dioxo-5-isoindolecarboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-(4-methyl-2-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(4-methyl-2-nitro-phenyl)isoindoline-5-carboxylic acid (4-bromobenzyl) ester Formula: C23H15BrN2O6 MolecularWeight: 495.279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C23H15BrN2O6/c1-13-2-9-19(20(10-13)26(30)31)25-21(27)17-8-5-15(11-18(17)22(25)28)23(29)32-12-14-3-6-16(24)7-4-14/h2-11H,12H2,1H3