5-(2-azanylpropyl)-1,3-benzodioxole-2,2-dicarboxylic acid

Systemtic Name: 5-(2-azanylpropyl)-1,3-benzodioxole-2,2-dicarboxylic acid Openeye Name: 5-(2-aminopropyl)-1,3-benzodioxole-2,2-dicarboxylic acid CAS Name: 5-(2-aminopropyl)-1,3-benzodioxole-2,2-dicarboxylic acid IUPAC Name: 5-(2-aminopropyl)-1,3-benzodioxole-2,2-dicarboxylic acid Traditional Name: 5-(2-aminopropyl)-1,3-benzodioxole-2,2-dicarboxylic acid Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OC(O2)(C(=O)O)C(=O)O)N

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OC(O2)(C(=O)O)C(=O)O)N

InChI

InChI=1S/C12H13NO6/c1-6(13)4-7-2-3-8-9(5-7)19-12(18-8,10(14)15)11(16)17/h2-3,5-6H,4,13H2,1H3,(H,14,15)(H,16,17)