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

Systemtic Name: 4-(1,3-benzodioxol-5-ylamino)-7-fluoranyl-quinoline-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-ylamino)-7-fluoro-quinoline-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-ylamino)-7-fluoro-3-quinolinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylamino)-7-fluoroquinoline-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-7-fluoro-quinoline-3-carboxylic acid Formula: C17H11FN2O4 MolecularWeight: 326.278643

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C17H11FN2O4/c18-9-1-3-11-13(5-9)19-7-12(17(21)22)16(11)20-10-2-4-14-15(6-10)24-8-23-14/h1-7H,8H2,(H,19,20)(H,21,22)