3-[5-[(furan-2-ylmethylazaniumyl)methyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[(furan-2-ylmethylazaniumyl)methyl]furan-2-yl]benzoate Openeye Name: 3-[5-[(2-furylmethylammonio)methyl]-2-furyl]benzoate CAS Name: 3-[5-[(2-furanylmethylammonio)methyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[(furan-2-ylmethylazaniumyl)methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(2-furfurylammonio)methyl]-2-furyl]benzoate Formula: C17H15NO4 MolecularWeight: 297.3053

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(O2)C[NH2+]CC3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(O2)C[NH2+]CC3=CC=CO3

InChI

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