3-(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)-6-nitro-3-oxidanyl-1H-quinoline-2,4-dione

Systemtic Name: 3-(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)-6-nitro-3-oxidanyl-1H-quinoline-2,4-dione Openeye Name: 3-(3-tert-butyl-2-hydroxy-5-methyl-phenyl)-3-hydroxy-6-nitro-1H-quinoline-2,4-dione CAS Name: 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-3-hydroxy-6-nitro-1H-quinoline-2,4-dione IUPAC Name: 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-3-hydroxy-6-nitro-1H-quinoline-2,4-dione Traditional Name: 3-(3-tert-butyl-2-hydroxy-5-methyl-phenyl)-3-hydroxy-6-nitro-1H-quinoline-2,4-quinone Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2(C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)O)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C2(C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)O)O)C(C)(C)C

InChI

InChI=1S/C20H20N2O6/c1-10-7-13(19(2,3)4)16(23)14(8-10)20(26)17(24)12-9-11(22(27)28)5-6-15(12)21-18(20)25/h5-9,23,26H,1-4H3,(H,21,25)