methyl 5-nitro-4H-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl 5-nitro-4H-1,3-benzodioxole-5-carboxylate Openeye Name: methyl 5-nitro-4H-1,3-benzodioxole-5-carboxylate CAS Name: 5-nitro-4H-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl 5-nitro-4H-1,3-benzodioxole-5-carboxylate Traditional Name: 5-nitro-4H-1,3-benzodioxole-5-carboxylic acid methyl ester Formula: C9H9NO6 MolecularWeight: 227.17086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO6/c1-14-8(11)9(10(12)13)3-2-6-7(4-9)16-5-15-6/h2-3H,4-5H2,1H3