(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-3-oxidanyl-propanoate

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-3-oxidanyl-propanoate Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-hydroxy-propanoate CAS Name: (2S)-2-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-3-hydroxypropanoate IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-hydroxypropanoate Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)-3-hydroxy-propionate Formula: C12H12NO6- MolecularWeight: 266.22678

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC(CO)C(=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)N[C@@H](CO)C(=O)[O-]

InChI

InChI=1S/C12H13NO6/c14-6-8(12(16)17)13-11(15)7-1-2-9-10(5-7)19-4-3-18-9/h1-2,5,8,14H,3-4,6H2,(H,13,15)(H,16,17)/p-1/t8-/m0/s1