2-tert-butyl-5-(3-nitrophenyl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-tert-butyl-5-(3-nitrophenyl)carbonyl-isoindole-1,3-dione Openeye Name: 2-tert-butyl-5-(3-nitrobenzoyl)isoindoline-1,3-dione CAS Name: 2-tert-butyl-5-[(3-nitrophenyl)-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-tert-butyl-5-(3-nitrobenzoyl)isoindole-1,3-dione Traditional Name: 2-tert-butyl-5-(3-nitrobenzoyl)isoindoline-1,3-quinone Formula: C19H16N2O5 MolecularWeight: 352.34074

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O5/c1-19(2,3)20-17(23)14-8-7-12(10-15(14)18(20)24)16(22)11-5-4-6-13(9-11)21(25)26/h4-10H,1-3H3