5-(4-tert-butylphenoxy)-6-nitro-isoindole-1,3-dione

Systemtic Name: 5-(4-tert-butylphenoxy)-6-nitro-isoindole-1,3-dione Openeye Name: 5-(4-tert-butylphenoxy)-6-nitro-isoindoline-1,3-dione CAS Name: 5-(4-tert-butylphenoxy)-6-nitroisoindole-1,3-dione IUPAC Name: 5-(4-tert-butylphenoxy)-6-nitroisoindole-1,3-dione Traditional Name: 5-(4-tert-butylphenoxy)-6-nitro-isoindoline-1,3-quinone Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C3C(=C2)C(=O)NC3=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C3C(=C2)C(=O)NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O5/c1-18(2,3)10-4-6-11(7-5-10)25-15-9-13-12(8-14(15)20(23)24)16(21)19-17(13)22/h4-9H,1-3H3,(H,19,21,22)