(4-bromanyl-2,6-dimethyl-phenyl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C19H15BrN2O6 MolecularWeight: 447.2362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C)Br

InChI

InChI=1S/C19H15BrN2O6/c1-10-8-12(20)9-11(2)17(10)28-15(23)6-7-21-18(24)13-4-3-5-14(22(26)27)16(13)19(21)25/h3-5,8-9H,6-7H2,1-2H3