2-(6-nitro-1,3-benzodioxol-5-yl)ethanoic acid

Systemtic Name: 2-(6-nitro-1,3-benzodioxol-5-yl)ethanoic acid Openeye Name: 2-(6-nitro-1,3-benzodioxol-5-yl)acetic acid CAS Name: 2-(6-nitro-1,3-benzodioxol-5-yl)acetic acid IUPAC Name: 2-(6-nitro-1,3-benzodioxol-5-yl)acetic acid Traditional Name: 2-(6-nitro-1,3-benzodioxol-5-yl)acetic acid Formula: C9H7NO6 MolecularWeight: 225.15498

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H7NO6/c11-9(12)2-5-1-7-8(16-4-15-7)3-6(5)10(13)14/h1,3H,2,4H2,(H,11,12)