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

Systemtic Name: 5-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: 5-[(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]isophthalate Formula: C21H16N2O7-2 MolecularWeight: 408.36094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C21H18N2O7/c1-2-3-6-23-18(25)15-5-4-11(10-16(15)19(23)26)17(24)22-14-8-12(20(27)28)7-13(9-14)21(29)30/h4-5,7-10H,2-3,6H2,1H3,(H,22,24)(H,27,28)(H,29,30)/p-2