methyl 3-(1,3-benzodioxol-5-yl)-3-ethoxy-2-nitro-propanoate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-yl)-3-ethoxy-2-nitro-propanoate Openeye Name: methyl 3-(1,3-benzodioxol-5-yl)-3-ethoxy-2-nitro-propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-3-ethoxy-2-nitropropanoic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-yl)-3-ethoxy-2-nitropropanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-ethoxy-2-nitro-propionic acid methyl ester Formula: C13H15NO7 MolecularWeight: 297.2607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO7/c1-3-19-12(11(14(16)17)13(15)18-2)8-4-5-9-10(6-8)21-7-20-9/h4-6,11-12H,3,7H2,1-2H3