4-(4,5-dimethoxy-3-oxidanylidene-1H-isoindol-2-yl)benzoic acid

Systemtic Name: 4-(4,5-dimethoxy-3-oxidanylidene-1H-isoindol-2-yl)benzoic acid Openeye Name: 4-(6,7-dimethoxy-1-oxo-isoindolin-2-yl)benzoic acid CAS Name: 4-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)benzoic acid IUPAC Name: 4-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)benzoic acid Traditional Name: 4-(1-keto-6,7-dimethoxy-isoindolin-2-yl)benzoic acid Formula: C17H15NO5 MolecularWeight: 313.3047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(CN(C2=O)C3=CC=C(C=C3)C(=O)O)C=C1)OC

Isomeric SMILES

COC1=C(C2=C(CN(C2=O)C3=CC=C(C=C3)C(=O)O)C=C1)OC

InChI

InChI=1S/C17H15NO5/c1-22-13-8-5-11-9-18(16(19)14(11)15(13)23-2)12-6-3-10(4-7-12)17(20)21/h3-8H,9H2,1-2H3,(H,20,21)