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

Systemtic Name: 3-[[2-(3-acetyloxyphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-(3-acetoxyphenyl)-1,3-dioxo-isoindoline-5-carbonyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[[2-(3-acetyloxyphenyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-(3-acetyloxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-(3-acetoxyphenyl)-1,3-diketo-isoindoline-5-carbonyl]amino]-4-methyl-benzoic acid Formula: C25H18N2O7 MolecularWeight: 458.41962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=CC=C4)OC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=CC=C4)OC(=O)C

InChI

InChI=1S/C25H18N2O7/c1-13-6-7-16(25(32)33)11-21(13)26-22(29)15-8-9-19-20(10-15)24(31)27(23(19)30)17-4-3-5-18(12-17)34-14(2)28/h3-12H,1-2H3,(H,26,29)(H,32,33)