ethyl 2-[(6-nitro-1,3-benzodioxol-5-yl)oxy]propanoate

Systemtic Name: ethyl 2-[(6-nitro-1,3-benzodioxol-5-yl)oxy]propanoate Openeye Name: ethyl 2-[(6-nitro-1,3-benzodioxol-5-yl)oxy]propanoate CAS Name: 2-[(6-nitro-1,3-benzodioxol-5-yl)oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(6-nitro-1,3-benzodioxol-5-yl)oxy]propanoate Traditional Name: 2-[(6-nitro-1,3-benzodioxol-5-yl)oxy]propionic acid ethyl ester Formula: C12H13NO7 MolecularWeight: 283.23412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CCOC(=O)C(C)OC1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C12H13NO7/c1-3-17-12(14)7(2)20-9-5-11-10(18-6-19-11)4-8(9)13(15)16/h4-5,7H,3,6H2,1-2H3