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

Systemtic Name: 3-[2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-(5-bromo-1,3-dioxo-isoindolin-2-yl)acetyl]amino]benzoic acid CAS Name: 3-[[2-(5-bromo-1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(5-bromo-1,3-diketo-isoindolin-2-yl)acetyl]amino]benzoic acid Formula: C17H11BrN2O5 MolecularWeight: 403.18364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C17H11BrN2O5/c18-10-4-5-12-13(7-10)16(23)20(15(12)22)8-14(21)19-11-3-1-2-9(6-11)17(24)25/h1-7H,8H2,(H,19,21)(H,24,25)