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

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (4-bromo-2-chloro-phenyl) 3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanoic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-phthalimidopropionic acid (4-bromo-2-chloro-phenyl) ester Formula: C17H11BrClNO4 MolecularWeight: 408.63054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C17H11BrClNO4/c18-10-5-6-14(13(19)9-10)24-15(21)7-8-20-16(22)11-3-1-2-4-12(11)17(20)23/h1-6,9H,7-8H2