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

Systemtic Name: dimethyl 5-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 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-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 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]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H22N2O7 MolecularWeight: 438.42998

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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)OC)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C23H22N2O7/c1-4-5-8-25-20(27)17-7-6-13(12-18(17)21(25)28)19(26)24-16-10-14(22(29)31-2)9-15(11-16)23(30)32-3/h6-7,9-12H,4-5,8H2,1-3H3,(H,24,26)