[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6/c1-14(2)22(15-6-4-3-5-7-15)19(25)13-29-20(26)17-12-16(23(27)28)8-9-18(17)21-10-11-24/h3-9,12,14,21,24H,10-11,13H2,1-2H3