6-[(2,3-dimethylphenyl)amino]-6-ethanoyl-4-fluoranyl-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-[(2,3-dimethylphenyl)amino]-6-ethanoyl-4-fluoranyl-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-acetyl-6-(2,3-dimethylanilino)-4-fluoro-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-acetyl-6-(2,3-dimethylanilino)-4-fluoro-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-acetyl-6-(2,3-dimethylanilino)-4-fluorocyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-acetyl-6-(2,3-dimethylanilino)-4-fluoro-cyclohexa-2,4-diene-1-carboxylic acid Formula: C17H18FNO3 MolecularWeight: 303.328123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2(C=C(C=CC2C(=O)O)F)C(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2(C=C(C=CC2C(=O)O)F)C(=O)C)C

InChI

InChI=1S/C17H18FNO3/c1-10-5-4-6-15(11(10)2)19-17(12(3)20)9-13(18)7-8-14(17)16(21)22/h4-9,14,19H,1-3H3,(H,21,22)