2-[(3S)-3-(hydroxymethyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-5-yl]ethanoic acid

Systemtic Name: 2-[(3S)-3-(hydroxymethyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-5-yl]ethanoic acid Openeye Name: 2-[(3S)-3-(hydroxymethyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-5-yl]acetic acid CAS Name: 2-[(3S)-3-(hydroxymethyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-5-yl]acetic acid IUPAC Name: 2-[(3S)-3-(hydroxymethyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-5-yl]acetic acid Traditional Name: 2-[(3S)-3-methylol-6-nitro-2,3-dihydro-1,4-benzodioxin-5-yl]acetic acid Formula: C11H11NO7 MolecularWeight: 269.20754

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(O1)C=CC(=C2CC(=O)O)[N+](=O)[O-])CO

Isomeric SMILES

C1[C@@H](OC2=C(O1)C=CC(=C2CC(=O)O)[N+](=O)[O-])CO

InChI

InChI=1S/C11H11NO7/c13-4-6-5-18-9-2-1-8(12(16)17)7(3-10(14)15)11(9)19-6/h1-2,6,13H,3-5H2,(H,14,15)/t6-/m0/s1