[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C20H22N2O8 MolecularWeight: 418.39728

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=C(C=CC(=C2)OC)OC

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C20H22N2O8/c1-27-9-8-21-17-6-4-13(22(25)26)10-15(17)20(24)30-12-18(23)16-11-14(28-2)5-7-19(16)29-3/h4-7,10-11,21H,8-9,12H2,1-3H3