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

Systemtic Name: 3-[[2-(3-carboxyphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 3-[[2-(3-carboxyphenyl)-1,3-dioxo-isoindoline-5-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-(3-carboxyphenyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-(3-carboxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid Traditional Name: 3-[[2-(3-carboxyphenyl)-1,3-diketo-isoindoline-5-carbonyl]amino]benzoic acid Formula: C23H14N2O7 MolecularWeight: 430.36646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C23H14N2O7/c26-19(24-15-5-1-3-13(9-15)22(29)30)12-7-8-17-18(11-12)21(28)25(20(17)27)16-6-2-4-14(10-16)23(31)32/h1-11H,(H,24,26)(H,29,30)(H,31,32)