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

Systemtic Name: 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-bromanyl-benzoic acid Openeye Name: 5-bromo-2-[(1,3-dioxoisoindolin-2-yl)methyl]benzoic acid CAS Name: 5-bromo-2-[(1,3-dioxo-2-isoindolyl)methyl]benzoic acid IUPAC Name: 5-bromo-2-[(1,3-dioxoisoindol-2-yl)methyl]benzoic acid Traditional Name: 5-bromo-2-(phthalimidomethyl)benzoic acid Formula: C16H10BrNO4 MolecularWeight: 360.1589

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=C(C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=C(C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C16H10BrNO4/c17-10-6-5-9(13(7-10)16(21)22)8-18-14(19)11-3-1-2-4-12(11)15(18)20/h1-7H,8H2,(H,21,22)