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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C25H18N2O7/c1-2-34-25(33)14-6-9-18(10-7-14)27-22(29)19-11-8-15(13-20(19)23(27)30)21(28)26-17-5-3-4-16(12-17)24(31)32/h3-13H,2H2,1H3,(H,26,28)(H,31,32)