2-(4-tert-butylphenyl)-6-nitro-5-oxidanyl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(4-tert-butylphenyl)-6-nitro-5-oxidanyl-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(4-tert-butylphenyl)-5-hydroxy-6-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(4-tert-butylphenyl)-5-hydroxy-6-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(4-tert-butylphenyl)-5-hydroxy-6-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(4-tert-butylphenyl)-5-hydroxy-6-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4[N+](=O)[O-])O)C2=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4[N+](=O)[O-])O)C2=O

InChI

InChI=1S/C22H18N2O5/c1-22(2,3)12-7-9-13(10-8-12)23-20(26)15-6-4-5-14-18(15)16(21(23)27)11-17(25)19(14)24(28)29/h4-11,25H,1-3H3