4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-4-oxo-butanoate CAS Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-4-oxobutanoate Traditional Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-4-keto-butyrate Formula: C13H14NO5- MolecularWeight: 264.25396

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)CNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C13H15NO5/c15-12(5-6-13(16)17)14-7-9-8-18-10-3-1-2-4-11(10)19-9/h1-4,9H,5-8H2,(H,14,15)(H,16,17)/p-1/t9-/m0/s1