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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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