2,4-dimethylbenzoic acid; 7-ethanoyl-1-ethyl-6,8-bis(fluoranyl)-3-methyl-quinolin-4-one

Systemtic Name: 2,4-dimethylbenzoic acid; 7-ethanoyl-1-ethyl-6,8-bis(fluoranyl)-3-methyl-quinolin-4-one Openeye Name: 7-acetyl-1-ethyl-6,8-difluoro-3-methyl-quinolin-4-one; 2,4-dimethylbenzoic acid CAS Name: 7-acetyl-1-ethyl-6,8-difluoro-3-methyl-4-quinolinone; 2,4-dimethylbenzoic acid IUPAC Name: 7-acetyl-1-ethyl-6,8-difluoro-3-methylquinolin-4-one; 2,4-dimethylbenzoic acid Traditional Name: 7-acetyl-1-ethyl-6,8-difluoro-3-methyl-4-quinolone; 2,4-xylic acid Formula: C23H23F2NO4 MolecularWeight: 415.429826

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C(=O)C)F)C.CC1=CC(=C(C=C1)C(=O)O)C

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C(=O)C)F)C.CC1=CC(=C(C=C1)C(=O)O)C

InChI

InChI=1S/C14H13F2NO2.C9H10O2/c1-4-17-6-7(2)14(19)9-5-10(15)11(8(3)18)12(16)13(9)17;1-6-3-4-8(9(10)11)7(2)5-6/h5-6H,4H2,1-3H3;3-5H,1-2H3,(H,10,11)