2-(3-ethyl-6-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)ethanoic acid

Systemtic Name: 2-(3-ethyl-6-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)ethanoic acid Openeye Name: 2-(3-ethyl-6-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid CAS Name: 2-(3-ethyl-6-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid IUPAC Name: 2-(3-ethyl-6-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid Traditional Name: 2-(3-ethyl-6-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

CCC1COC2=C(O1)C(=C(C=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CCC1COC2=C(O1)C(=C(C=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C12H13NO6/c1-2-7-6-18-10-4-3-9(13(16)17)8(5-11(14)15)12(10)19-7/h3-4,7H,2,5-6H2,1H3,(H,14,15)