3-[[4-(carboxymethyl)phenyl]amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid

Systemtic Name: 3-[[4-(carboxymethyl)phenyl]amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid Openeye Name: 3-[4-(carboxymethyl)anilino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid CAS Name: 3-[4-(carboxymethyl)anilino]-6-(trifluoromethyl)-2-quinoxalinecarboxylic acid IUPAC Name: 3-[4-(carboxymethyl)anilino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid Traditional Name: 3-[4-(carboxymethyl)anilino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid Formula: C18H12F3N3O4 MolecularWeight: 391.30079

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O

InChI

InChI=1S/C18H12F3N3O4/c19-18(20,21)10-3-6-12-13(8-10)24-16(15(23-12)17(27)28)22-11-4-1-9(2-5-11)7-14(25)26/h1-6,8H,7H2,(H,22,24)(H,25,26)(H,27,28)