methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid methyl ester Formula: C9H7NO6 MolecularWeight: 225.15498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7NO6/c1-14-9(11)5-2-7-8(16-4-15-7)3-6(5)10(12)13/h2-3H,4H2,1H3