5-(2-azanylpropyl)-3H-1-benzofuran-2,2-dicarboxylic acid

Systemtic Name: 5-(2-azanylpropyl)-3H-1-benzofuran-2,2-dicarboxylic acid Openeye Name: 5-(2-aminopropyl)-3H-benzofuran-2,2-dicarboxylic acid CAS Name: 5-(2-aminopropyl)-3H-benzofuran-2,2-dicarboxylic acid IUPAC Name: 5-(2-aminopropyl)-3H-1-benzofuran-2,2-dicarboxylic acid Traditional Name: 5-(2-aminopropyl)coumaran-2,2-dicarboxylic acid Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OC(C2)(C(=O)O)C(=O)O)N

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OC(C2)(C(=O)O)C(=O)O)N

InChI

InChI=1S/C13H15NO5/c1-7(14)4-8-2-3-10-9(5-8)6-13(19-10,11(15)16)12(17)18/h2-3,5,7H,4,6,14H2,1H3,(H,15,16)(H,17,18)