4-(1,3-benzodioxol-5-ylamino)-7-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-ylamino)-7-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-ylamino)-7-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-ylamino)-7-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylamino)-7-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-7-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C18H11F3N2O4 MolecularWeight: 376.28615

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C(=O)O)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C(=O)O)C(F)(F)F

InChI

InChI=1S/C18H11F3N2O4/c19-18(20,21)9-1-3-11-13(5-9)22-7-12(17(24)25)16(11)23-10-2-4-14-15(6-10)27-8-26-14/h1-7H,8H2,(H,22,23)(H,24,25)