5-(1,3-benzodioxol-5-ylmethylamino)-2-chloranyl-benzoic acid

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-chloranyl-benzoic acid Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-chloro-benzoic acid CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-chlorobenzoic acid IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-chlorobenzoic acid Traditional Name: 2-chloro-5-(piperonylamino)benzoic acid Formula: C15H12ClNO4 MolecularWeight: 305.71308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C15H12ClNO4/c16-12-3-2-10(6-11(12)15(18)19)17-7-9-1-4-13-14(5-9)21-8-20-13/h1-6,17H,7-8H2,(H,18,19)