2-[[1,3-bis(oxidanylidene)-2-(2,4,6-trimethylphenyl)isoindol-5-yl]carbonylamino]benzoic acid

Systemtic Name: 2-[[1,3-bis(oxidanylidene)-2-(2,4,6-trimethylphenyl)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 2-[[1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindoline-5-carbonyl]amino]benzoic acid CAS Name: 2-[[[1,3-dioxo-2-(2,4,6-trimethylphenyl)-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[1,3-dioxo-2-(2,4,6-trimethylphenyl)isoindole-5-carbonyl]amino]benzoic acid Traditional Name: 2-[(1,3-diketo-2-mesityl-isoindoline-5-carbonyl)amino]benzoic acid Formula: C25H20N2O5 MolecularWeight: 428.4367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)O)C

InChI

InChI=1S/C25H20N2O5/c1-13-10-14(2)21(15(3)11-13)27-23(29)17-9-8-16(12-19(17)24(27)30)22(28)26-20-7-5-4-6-18(20)25(31)32/h4-12H,1-3H3,(H,26,28)(H,31,32)