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

Systemtic Name: 3-[5-[(4-bromophenyl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid Openeye Name: 3-[5-[(4-bromobenzoyl)amino]-1,3-dioxo-isoindolin-2-yl]benzoic acid CAS Name: 3-[5-[[(4-bromophenyl)-oxomethyl]amino]-1,3-dioxo-2-isoindolyl]benzoic acid IUPAC Name: 3-[5-[(4-bromobenzoyl)amino]-1,3-dioxoisoindol-2-yl]benzoic acid Traditional Name: 3-[5-[(4-bromobenzoyl)amino]-1,3-diketo-isoindolin-2-yl]benzoic acid Formula: C22H13BrN2O5 MolecularWeight: 465.25302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Br)C(=O)O

InChI

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