ethyl 3-(6-nitro-1,3-benzodioxol-5-yl)-2,3-bis(oxidanyl)propanoate

Systemtic Name: ethyl 3-(6-nitro-1,3-benzodioxol-5-yl)-2,3-bis(oxidanyl)propanoate Openeye Name: ethyl 2,3-dihydroxy-3-(6-nitro-1,3-benzodioxol-5-yl)propanoate CAS Name: 2,3-dihydroxy-3-(6-nitro-1,3-benzodioxol-5-yl)propanoic acid ethyl ester IUPAC Name: ethyl 2,3-dihydroxy-3-(6-nitro-1,3-benzodioxol-5-yl)propanoate Traditional Name: 2,3-dihydroxy-3-(6-nitro-1,3-benzodioxol-5-yl)propionic acid ethyl ester Formula: C12H13NO8 MolecularWeight: 299.23352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)O)O

Isomeric SMILES

CCOC(=O)C(C(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)O)O

InChI

InChI=1S/C12H13NO8/c1-2-19-12(16)11(15)10(14)6-3-8-9(21-5-20-8)4-7(6)13(17)18/h3-4,10-11,14-15H,2,5H2,1H3