2-[4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]benzoate

Systemtic Name: 2-[4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]benzoate Openeye Name: 2-[4-(5-bromo-1,3-dioxo-isoindolin-2-yl)phenyl]benzoate CAS Name: 2-[4-(5-bromo-1,3-dioxo-2-isoindolyl)phenyl]benzoate IUPAC Name: 2-[4-(5-bromo-1,3-dioxoisoindol-2-yl)phenyl]benzoate Traditional Name: 2-[4-(5-bromo-1,3-diketo-isoindolin-2-yl)phenyl]benzoate Formula: C21H11BrNO4- MolecularWeight: 421.22034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br)C(=O)[O-]

InChI

InChI=1S/C21H12BrNO4/c22-13-7-10-16-18(11-13)20(25)23(19(16)24)14-8-5-12(6-9-14)15-3-1-2-4-17(15)21(26)27/h1-11H,(H,26,27)/p-1