3-(1,3-benzodioxol-4-ylmethylamino)-4-fluoranyl-benzoic acid

Systemtic Name: 3-(1,3-benzodioxol-4-ylmethylamino)-4-fluoranyl-benzoic acid Openeye Name: 3-(1,3-benzodioxol-4-ylmethylamino)-4-fluoro-benzoic acid CAS Name: 3-(1,3-benzodioxol-4-ylmethylamino)-4-fluorobenzoic acid IUPAC Name: 3-(1,3-benzodioxol-4-ylmethylamino)-4-fluorobenzoic acid Traditional Name: 3-(1,3-benzodioxol-4-ylmethylamino)-4-fluoro-benzoic acid Formula: C15H12FNO4 MolecularWeight: 289.258483

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)CNC3=C(C=CC(=C3)C(=O)O)F

Isomeric SMILES

C1OC2=CC=CC(=C2O1)CNC3=C(C=CC(=C3)C(=O)O)F

InChI

InChI=1S/C15H12FNO4/c16-11-5-4-9(15(18)19)6-12(11)17-7-10-2-1-3-13-14(10)21-8-20-13/h1-6,17H,7-8H2,(H,18,19)