3-[(5-bromanylfuran-2-yl)methylamino]benzoic acid

Systemtic Name: 3-[(5-bromanylfuran-2-yl)methylamino]benzoic acid Openeye Name: 3-[(5-bromo-2-furyl)methylamino]benzoic acid CAS Name: 3-[(5-bromo-2-furanyl)methylamino]benzoic acid IUPAC Name: 3-[(5-bromofuran-2-yl)methylamino]benzoic acid Traditional Name: 3-[(5-bromo-2-furyl)methylamino]benzoic acid Formula: C12H10BrNO3 MolecularWeight: 296.1167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCC2=CC=C(O2)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NCC2=CC=C(O2)Br)C(=O)O

InChI

InChI=1S/C12H10BrNO3/c13-11-5-4-10(17-11)7-14-9-3-1-2-8(6-9)12(15)16/h1-6,14H,7H2,(H,15,16)