4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylamino]benzoic acid

Systemtic Name: 4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylamino]benzoic acid Openeye Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]benzoic acid CAS Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]benzoic acid IUPAC Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]benzoic acid Traditional Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]benzoic acid Formula: C15H12BrNO4 MolecularWeight: 350.16408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrNO4/c16-12-6-14-13(20-8-21-14)5-10(12)7-17-11-3-1-9(2-4-11)15(18)19/h1-6,17H,7-8H2,(H,18,19)