[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-(4-isopropylanilino)-2-oxo-ethyl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-nitrophenyl)-oxomethyl]amino]propanoic acid [2-oxo-2-(4-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylanilino)ethyl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(3-nitrobenzoyl)amino]propionic acid (2-cumidino-2-keto-ethyl) ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)C(C)C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-13(2)15-7-9-17(10-8-15)23-19(25)12-30-21(27)14(3)22-20(26)16-5-4-6-18(11-16)24(28)29/h4-11,13-14H,12H2,1-3H3,(H,22,26)(H,23,25)/t14-/m0/s1