6-azanyl-3-bromanyl-6-[[2-methyl-3-(trifluoromethyl)phenyl]amino]cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-azanyl-3-bromanyl-6-[[2-methyl-3-(trifluoromethyl)phenyl]amino]cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-amino-3-bromo-6-[2-methyl-3-(trifluoromethyl)anilino]cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-amino-3-bromo-6-[2-methyl-3-(trifluoromethyl)anilino]-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-amino-3-bromo-6-[2-methyl-3-(trifluoromethyl)anilino]cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-amino-3-bromo-6-[2-methyl-3-(trifluoromethyl)anilino]cyclohexa-2,4-diene-1-carboxylic acid Formula: C15H14BrF3N2O2 MolecularWeight: 391.18307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC2(C=CC(=CC2C(=O)O)Br)N)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC=C1NC2(C=CC(=CC2C(=O)O)Br)N)C(F)(F)F

InChI

InChI=1S/C15H14BrF3N2O2/c1-8-10(15(17,18)19)3-2-4-12(8)21-14(20)6-5-9(16)7-11(14)13(22)23/h2-7,11,21H,20H2,1H3,(H,22,23)