3-(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)-6-chloranyl-7-methoxy-3-oxidanyl-1H-quinoline-2,4-dione

Systemtic Name: 3-(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)-6-chloranyl-7-methoxy-3-oxidanyl-1H-quinoline-2,4-dione Openeye Name: 3-(3-tert-butyl-2-hydroxy-5-methyl-phenyl)-6-chloro-3-hydroxy-7-methoxy-1H-quinoline-2,4-dione CAS Name: 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-6-chloro-3-hydroxy-7-methoxy-1H-quinoline-2,4-dione IUPAC Name: 3-(3-tert-butyl-2-hydroxy-5-methylphenyl)-6-chloro-3-hydroxy-7-methoxy-1H-quinoline-2,4-dione Traditional Name: 3-(3-tert-butyl-2-hydroxy-5-methyl-phenyl)-6-chloro-3-hydroxy-7-methoxy-1H-quinoline-2,4-quinone Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2(C(=O)C3=CC(=C(C=C3NC2=O)OC)Cl)O)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C2(C(=O)C3=CC(=C(C=C3NC2=O)OC)Cl)O)O)C(C)(C)C

InChI

InChI=1S/C21H22ClNO5/c1-10-6-12(20(2,3)4)17(24)13(7-10)21(27)18(25)11-8-14(22)16(28-5)9-15(11)23-19(21)26/h6-9,24,27H,1-5H3,(H,23,26)