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

Systemtic Name: 3-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanylidene-propanoic acid Openeye Name: 3-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-propanoic acid CAS Name: 3-(6-nitro-1,3-benzodioxol-5-yl)-2-oxopropanoic acid IUPAC Name: 3-(6-nitro-1,3-benzodioxol-5-yl)-2-oxopropanoic acid Traditional Name: 2-keto-3-(6-nitro-1,3-benzodioxol-5-yl)propionic acid Formula: C10H7NO7 MolecularWeight: 253.16508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7NO7/c12-7(10(13)14)1-5-2-8-9(18-4-17-8)3-6(5)11(15)16/h2-3H,1,4H2,(H,13,14)