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

Systemtic Name: 3-[[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]methyl-ethanoyl-amino]benzoic acid Openeye Name: 3-[acetyl-[(5-bromo-1,3-dioxo-isoindolin-2-yl)methyl]amino]benzoic acid CAS Name: 3-[acetyl-[(5-bromo-1,3-dioxo-2-isoindolyl)methyl]amino]benzoic acid IUPAC Name: 3-[acetyl-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]amino]benzoic acid Traditional Name: 3-[acetyl-[(5-bromo-1,3-diketo-isoindolin-2-yl)methyl]amino]benzoic acid Formula: C18H13BrN2O5 MolecularWeight: 417.21022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CN1C(=O)C2=C(C1=O)C=C(C=C2)Br)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC(=O)N(CN1C(=O)C2=C(C1=O)C=C(C=C2)Br)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H13BrN2O5/c1-10(22)20(13-4-2-3-11(7-13)18(25)26)9-21-16(23)14-6-5-12(19)8-15(14)17(21)24/h2-8H,9H2,1H3,(H,25,26)