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

Systemtic Name: 3,3-bis(1,3-benzodioxol-5-yl)-2-nitro-propanoic acid Openeye Name: 3,3-bis(1,3-benzodioxol-5-yl)-2-nitro-propanoic acid CAS Name: 3,3-bis(1,3-benzodioxol-5-yl)-2-nitropropanoic acid IUPAC Name: 3,3-bis(1,3-benzodioxol-5-yl)-2-nitropropanoic acid Traditional Name: 3,3-bis(1,3-benzodioxol-5-yl)-2-nitro-propionic acid Formula: C17H13NO8 MolecularWeight: 359.28702

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C3=CC4=C(C=C3)OCO4)C(C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C3=CC4=C(C=C3)OCO4)C(C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO8/c19-17(20)16(18(21)22)15(9-1-3-11-13(5-9)25-7-23-11)10-2-4-12-14(6-10)26-8-24-12/h1-6,15-16H,7-8H2,(H,19,20)