[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-(5-bromo-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(5-bromo-1,3-dioxo-2-isoindolyl)acetic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(5-bromo-1,3-diketo-isoindolin-2-yl)acetic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C19H13BrN2O7 MolecularWeight: 461.21972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H13BrN2O7/c1-10-2-3-11(6-15(10)22(27)28)16(23)9-29-17(24)8-21-18(25)13-5-4-12(20)7-14(13)19(21)26/h2-7H,8-9H2,1H3