3-[(3,4-dichlorophenyl)methylamino]-5-(trifluoromethyl)quinoxaline-2-carboxylic acid

Systemtic Name: 3-[(3,4-dichlorophenyl)methylamino]-5-(trifluoromethyl)quinoxaline-2-carboxylic acid Openeye Name: 3-[(3,4-dichlorophenyl)methylamino]-5-(trifluoromethyl)quinoxaline-2-carboxylic acid CAS Name: 3-[(3,4-dichlorophenyl)methylamino]-5-(trifluoromethyl)-2-quinoxalinecarboxylic acid IUPAC Name: 3-[(3,4-dichlorophenyl)methylamino]-5-(trifluoromethyl)quinoxaline-2-carboxylic acid Traditional Name: 3-[(3,4-dichlorobenzyl)amino]-5-(trifluoromethyl)quinoxaline-2-carboxylic acid Formula: C17H10Cl2F3N3O2 MolecularWeight: 416.18141

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)N=C(C(=N2)NCC3=CC(=C(C=C3)Cl)Cl)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=C2C(=C1)N=C(C(=N2)NCC3=CC(=C(C=C3)Cl)Cl)C(=O)O)C(F)(F)F

InChI

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