3-[(3-fluorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid

Systemtic Name: 3-[(3-fluorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid Openeye Name: 3-[(3-fluorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid CAS Name: 3-[(3-fluorophenyl)methylamino]-6-(trifluoromethyl)-2-quinoxalinecarboxylic acid IUPAC Name: 3-[(3-fluorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid Traditional Name: 3-[(3-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid Formula: C17H11F4N3O2 MolecularWeight: 365.281753

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)F)CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O

InChI

InChI=1S/C17H11F4N3O2/c18-11-3-1-2-9(6-11)8-22-15-14(16(25)26)23-12-5-4-10(17(19,20)21)7-13(12)24-15/h1-7H,8H2,(H,22,24)(H,25,26)