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

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O7/c1-20(2)16-7-5-12(21(24)25)9-14(16)19(23)28-11-17(22)15-10-13(26-3)6-8-18(15)27-4/h5-10H,11H2,1-4H3