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

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (2-bromo-4-methyl-phenyl) 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid (2-bromo-4-methyl-phenyl) ester Formula: C18H13BrN2O6 MolecularWeight: 433.20962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H13BrN2O6/c1-10-5-6-14(12(19)9-10)27-15(22)7-8-20-17(23)11-3-2-4-13(21(25)26)16(11)18(20)24/h2-6,9H,7-8H2,1H3