methyl 3-[[2-tert-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[2-tert-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoate Openeye Name: methyl 3-[(2-tert-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]benzoate CAS Name: 3-[[(2-tert-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoate Traditional Name: 3-[(2-tert-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]benzoic acid methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O5/c1-21(2,3)23-18(25)15-9-8-12(11-16(15)19(23)26)17(24)22-14-7-5-6-13(10-14)20(27)28-4/h5-11H,1-4H3,(H,22,24)