[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-(2,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-(2,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C18H15NO9 MolecularWeight: 389.313

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)OC

InChI

InChI=1S/C18H15NO9/c1-24-10-3-4-11(15(5-10)25-2)14(20)8-26-18(21)12-6-16-17(28-9-27-16)7-13(12)19(22)23/h3-7H,8-9H2,1-2H3