[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-(2,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-(2,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C19H20N2O8 MolecularWeight: 404.3707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O8/c1-27-13-4-5-14(18(10-13)28-2)17(23)11-29-19(24)15-9-12(21(25)26)3-6-16(15)20-7-8-22/h3-6,9-10,20,22H,7-8,11H2,1-2H3