2-[4-[(2-methylphenyl)carbonylamino]-3-oxidanyl-phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[4-[(2-methylphenyl)carbonylamino]-3-oxidanyl-phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[3-hydroxy-4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[3-hydroxy-4-(o-toluoylamino)phenyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C23H16N2O6 MolecularWeight: 416.38294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O)O

InChI

InChI=1S/C23H16N2O6/c1-12-4-2-3-5-15(12)20(27)24-18-9-7-14(11-19(18)26)25-21(28)16-8-6-13(23(30)31)10-17(16)22(25)29/h2-11,26H,1H3,(H,24,27)(H,30,31)