5-[(1,3-benzodioxol-5-ylamino)methyl]furan-2-carboxylic acid

Systemtic Name: 5-[(1,3-benzodioxol-5-ylamino)methyl]furan-2-carboxylic acid Openeye Name: 5-[(1,3-benzodioxol-5-ylamino)methyl]furan-2-carboxylic acid CAS Name: 5-[(1,3-benzodioxol-5-ylamino)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(1,3-benzodioxol-5-ylamino)methyl]furan-2-carboxylic acid Traditional Name: 5-[(1,3-benzodioxol-5-ylamino)methyl]-2-furoic acid Formula: C13H11NO5 MolecularWeight: 261.23014

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NCC3=CC=C(O3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C13H11NO5/c15-13(16)11-4-2-9(19-11)6-14-8-1-3-10-12(5-8)18-7-17-10/h1-5,14H,6-7H2,(H,15,16)