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

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methylamino]-5-(trifluoromethyl)quinoxaline-2-carboxylic acid Openeye Name: 3-[(3,4-dimethoxyphenyl)methylamino]-5-(trifluoromethyl)quinoxaline-2-carboxylic acid CAS Name: 3-[(3,4-dimethoxyphenyl)methylamino]-5-(trifluoromethyl)-2-quinoxalinecarboxylic acid IUPAC Name: 3-[(3,4-dimethoxyphenyl)methylamino]-5-(trifluoromethyl)quinoxaline-2-carboxylic acid Traditional Name: 5-(trifluoromethyl)-3-(veratrylamino)quinoxaline-2-carboxylic acid Formula: C19H16F3N3O4 MolecularWeight: 407.34325

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC3=C(C=CC=C3N=C2C(=O)O)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC3=C(C=CC=C3N=C2C(=O)O)C(F)(F)F)OC

InChI

InChI=1S/C19H16F3N3O4/c1-28-13-7-6-10(8-14(13)29-2)9-23-17-16(18(26)27)24-12-5-3-4-11(15(12)25-17)19(20,21)22/h3-8H,9H2,1-2H3,(H,23,25)(H,26,27)