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

Systemtic Name: (4-bromophenyl)methyl 4-methyl-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: (4-bromophenyl)methyl 4-methyl-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 4-methyl-3-(4-nitro-1,3-dioxo-2-isoindolyl)benzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 4-methyl-3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)-4-methyl-benzoic acid (4-bromobenzyl) ester Formula: C23H15BrN2O6 MolecularWeight: 495.279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)Br)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)Br)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

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