4-[[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]amino]butanoic acid

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]amino]butanoic acid Openeye Name: 4-[[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]amino]butanoic acid CAS Name: 4-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]amino]butanoic acid Traditional Name: 4-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]amino]butyric acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CNCCCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CNCCCC(=O)O

InChI

InChI=1S/C13H16N2O5/c16-12(7-14-5-1-2-13(17)18)15-9-3-4-10-11(6-9)20-8-19-10/h3-4,6,14H,1-2,5,7-8H2,(H,15,16)(H,17,18)