4,4,7-trimethyl-5-nitro-6-oxidanyl-3H-chromen-2-one

Systemtic Name: 4,4,7-trimethyl-5-nitro-6-oxidanyl-3H-chromen-2-one Openeye Name: 6-hydroxy-4,4,7-trimethyl-5-nitro-chroman-2-one CAS Name: 6-hydroxy-4,4,7-trimethyl-5-nitro-3,4-dihydro-2H-1-benzopyran-2-one IUPAC Name: 6-hydroxy-4,4,7-trimethyl-5-nitro-3H-chromen-2-one Traditional Name: 6-hydroxy-4,4,7-trimethyl-5-nitro-chroman-2-one Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1O)[N+](=O)[O-])C(CC(=O)O2)(C)C

Isomeric SMILES

CC1=CC2=C(C(=C1O)[N+](=O)[O-])C(CC(=O)O2)(C)C

InChI

InChI=1S/C12H13NO5/c1-6-4-7-9(10(11(6)15)13(16)17)12(2,3)5-8(14)18-7/h4,15H,5H2,1-3H3