3-[[2-tert-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[[2-tert-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-4-methyl-benzoic acid Openeye Name: 3-[(2-tert-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-4-methyl-benzoic acid CAS Name: 3-[[(2-tert-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylbenzoic acid Traditional Name: 3-[(2-tert-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]-4-methyl-benzoic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C(C)(C)C

InChI

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