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

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanoic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-phthalimidopropionic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C18H13BrClNO4 MolecularWeight: 422.65712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)Cl)Br

InChI

InChI=1S/C18H13BrClNO4/c1-10-8-11(19)9-14(20)16(10)25-15(22)6-7-21-17(23)12-4-2-3-5-13(12)18(21)24/h2-5,8-9H,6-7H2,1H3