5-[(furan-2-ylmethylamino)methyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(furan-2-ylmethylamino)methyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(2-furylmethylamino)methyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[(2-furanylmethylamino)methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(furan-2-ylmethylamino)methyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(2-furfurylamino)methyl]isophthalic acid Formula: C14H13NO5 MolecularWeight: 275.25672

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNCC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=COC(=C1)CNCC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C14H13NO5/c16-13(17)10-4-9(5-11(6-10)14(18)19)7-15-8-12-2-1-3-20-12/h1-6,15H,7-8H2,(H,16,17)(H,18,19)