5-(1,3-benzodioxol-5-ylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(1,3-benzodioxol-5-ylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(1,3-benzodioxol-5-ylamino)-5-oxo-pentanoic acid CAS Name: 5-(1,3-benzodioxol-5-ylamino)-5-oxopentanoic acid IUPAC Name: 5-(1,3-benzodioxol-5-ylamino)-5-oxopentanoic acid Traditional Name: 5-(1,3-benzodioxol-5-ylamino)-5-keto-valeric acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c14-11(2-1-3-12(15)16)13-8-4-5-9-10(6-8)18-7-17-9/h4-6H,1-3,7H2,(H,13,14)(H,15,16)