2-[[2-tert-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-4-nitro-phenolate

Systemtic Name: 2-[[2-tert-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-4-nitro-phenolate Openeye Name: 2-[(2-tert-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-4-nitro-phenolate CAS Name: 2-[[(2-tert-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]-4-nitrophenolate IUPAC Name: 2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-nitrophenolate Traditional Name: 2-[(2-tert-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]-4-nitro-phenolate Formula: C19H16N3O6- MolecularWeight: 382.34684

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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=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H17N3O6/c1-19(2,3)21-17(25)12-6-4-10(8-13(12)18(21)26)16(24)20-14-9-11(22(27)28)5-7-15(14)23/h4-9,23H,1-3H3,(H,20,24)/p-1