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

Systemtic Name: 2-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]carbonylamino]-5-bromanyl-benzoic acid Openeye Name: 5-bromo-2-[[4-(1,3-dioxoisoindolin-2-yl)benzoyl]amino]benzoic acid CAS Name: 5-bromo-2-[[[4-(1,3-dioxo-2-isoindolyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid Traditional Name: 5-bromo-2-[(4-phthalimidobenzoyl)amino]benzoic acid Formula: C22H13BrN2O5 MolecularWeight: 465.25302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C22H13BrN2O5/c23-13-7-10-18(17(11-13)22(29)30)24-19(26)12-5-8-14(9-6-12)25-20(27)15-3-1-2-4-16(15)21(25)28/h1-11H,(H,24,26)(H,29,30)