3-[(3,4-dimethoxyphenyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid

Systemtic Name: 3-[(3,4-dimethoxyphenyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid Openeye Name: 3-(3,4-dimethoxyanilino)-6-(trifluoromethyl)quinoxaline-2-carboxylic acid CAS Name: 3-(3,4-dimethoxyanilino)-6-(trifluoromethyl)-2-quinoxalinecarboxylic acid IUPAC Name: 3-(3,4-dimethoxyanilino)-6-(trifluoromethyl)quinoxaline-2-carboxylic acid Traditional Name: 3-(3,4-dimethoxyanilino)-6-(trifluoromethyl)quinoxaline-2-carboxylic acid Formula: C18H14F3N3O4 MolecularWeight: 393.31667

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O)OC

InChI

InChI=1S/C18H14F3N3O4/c1-27-13-6-4-10(8-14(13)28-2)22-16-15(17(25)26)23-11-5-3-9(18(19,20)21)7-12(11)24-16/h3-8H,1-2H3,(H,22,24)(H,25,26)