7-tert-butyl-2-methyl-2-[(4-nitrophenoxy)methyl]-6-oxidanyl-3H-chromen-4-one

Systemtic Name: 7-tert-butyl-2-methyl-2-[(4-nitrophenoxy)methyl]-6-oxidanyl-3H-chromen-4-one Openeye Name: 7-tert-butyl-6-hydroxy-2-methyl-2-[(4-nitrophenoxy)methyl]chroman-4-one CAS Name: 7-tert-butyl-6-hydroxy-2-methyl-2-[(4-nitrophenoxy)methyl]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 7-tert-butyl-6-hydroxy-2-methyl-2-[(4-nitrophenoxy)methyl]-3H-chromen-4-one Traditional Name: 7-tert-butyl-6-hydroxy-2-methyl-2-[(4-nitrophenoxy)methyl]chroman-4-one Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=CC(=C(C=C2O1)C(C)(C)C)O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1(CC(=O)C2=CC(=C(C=C2O1)C(C)(C)C)O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23NO6/c1-20(2,3)16-10-19-15(9-17(16)23)18(24)11-21(4,28-19)12-27-14-7-5-13(6-8-14)22(25)26/h5-10,23H,11-12H2,1-4H3