1-(6-nitro-1,3-benzodioxol-5-yl)ethyl 2-methylpropanoate

Systemtic Name: 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl 2-methylpropanoate Openeye Name: 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl ester IUPAC Name: 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid 1-(6-nitro-1,3-benzodioxol-5-yl)ethyl ester Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6/c1-7(2)13(15)20-8(3)9-4-11-12(19-6-18-11)5-10(9)14(16)17/h4-5,7-8H,6H2,1-3H3