4-[5-[(furan-2-ylmethylazaniumyl)methyl]furan-2-yl]benzoate

Systemtic Name: 4-[5-[(furan-2-ylmethylazaniumyl)methyl]furan-2-yl]benzoate Openeye Name: 4-[5-[(2-furylmethylammonio)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(2-furanylmethylammonio)methyl]-2-furanyl]benzoate IUPAC Name: 4-[5-[(furan-2-ylmethylazaniumyl)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(2-furfurylammonio)methyl]-2-furyl]benzoate Formula: C17H15NO4 MolecularWeight: 297.3053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C[NH2+]CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=COC(=C1)C[NH2+]CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H15NO4/c19-17(20)13-5-3-12(4-6-13)16-8-7-15(22-16)11-18-10-14-2-1-9-21-14/h1-9,18H,10-11H2,(H,19,20)