[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 2-[(3-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 2-[(3-nitrophenyl)carbonylamino]ethanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 2-[(3-nitrobenzoyl)amino]acetate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]acetic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[(3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-nitrobenzoyl)amino]acetic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-13(2)16-8-3-4-9-17(16)22-18(24)12-29-19(25)11-21-20(26)14-6-5-7-15(10-14)23(27)28/h3-10,13H,11-12H2,1-2H3,(H,21,26)(H,22,24)