4-(1,3-benzodioxol-5-ylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(1,3-benzodioxol-5-ylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(1,3-benzodioxol-5-ylamino)-4-oxo-butanoic acid CAS Name: 4-(1,3-benzodioxol-5-ylamino)-4-oxobutanoic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylamino)-4-oxobutanoic acid Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-4-keto-butyric acid Formula: C11H11NO5 MolecularWeight: 237.20874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO5/c13-10(3-4-11(14)15)12-7-1-2-8-9(5-7)17-6-16-8/h1-2,5H,3-4,6H2,(H,12,13)(H,14,15)