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

Systemtic Name: 5-[[2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: 5-[(2-isopentyl-1,3-dioxo-isoindoline-5-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-(3-methylbutyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[[2-(3-methylbutyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-isoamyl-1,3-diketo-isoindoline-5-carbonyl)amino]isophthalate Formula: C22H18N2O7-2 MolecularWeight: 422.38752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C22H20N2O7/c1-11(2)5-6-24-19(26)16-4-3-12(10-17(16)20(24)27)18(25)23-15-8-13(21(28)29)7-14(9-15)22(30)31/h3-4,7-11H,5-6H2,1-2H3,(H,23,25)(H,28,29)(H,30,31)/p-2