5,7-dimethyl-8-nitro-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 5,7-dimethyl-8-nitro-2-(trifluoromethyl)chromen-4-one Openeye Name: 5,7-dimethyl-8-nitro-2-(trifluoromethyl)chromen-4-one CAS Name: 5,7-dimethyl-8-nitro-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 5,7-dimethyl-8-nitro-2-(trifluoromethyl)chromen-4-one Traditional Name: 5,7-dimethyl-8-nitro-2-(trifluoromethyl)chromone Formula: C12H8F3NO4 MolecularWeight: 287.19143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C=C(O2)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)C=C(O2)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C12H8F3NO4/c1-5-3-6(2)10(16(18)19)11-9(5)7(17)4-8(20-11)12(13,14)15/h3-4H,1-2H3