[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C19H21N3O8 MolecularWeight: 419.38534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O8/c1-28-14-7-12(8-15(10-14)29-2)21-18(24)11-30-19(25)16-9-13(22(26)27)3-4-17(16)20-5-6-23/h3-4,7-10,20,23H,5-6,11H2,1-2H3,(H,21,24)