3-[(3,4-dichlorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid

Systemtic Name: 3-[(3,4-dichlorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid Openeye Name: 3-[(3,4-dichlorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid CAS Name: 3-[(3,4-dichlorophenyl)methylamino]-6-(trifluoromethyl)-2-quinoxalinecarboxylic acid IUPAC Name: 3-[(3,4-dichlorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid Traditional Name: 3-[(3,4-dichlorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid Formula: C17H10Cl2F3N3O2 MolecularWeight: 416.18141

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O)Cl)Cl

InChI

InChI=1S/C17H10Cl2F3N3O2/c18-10-3-1-8(5-11(10)19)7-23-15-14(16(26)27)24-12-4-2-9(17(20,21)22)6-13(12)25-15/h1-6H,7H2,(H,23,25)(H,26,27)