5-[[2-(3,4-dimethylphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: 5-[[2-(3,4-dimethylphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: 5-[[2-(3,4-dimethylphenyl)-1,3-dioxo-isoindoline-5-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-(3,4-dimethylphenyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[[2-(3,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(3,4-dimethylphenyl)-1,3-diketo-isoindoline-5-carbonyl]amino]isophthalate Formula: C25H16N2O7-2 MolecularWeight: 456.40374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=CC(=C4)C(=O)[O-])C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=CC(=C4)C(=O)[O-])C(=O)[O-])C

InChI

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