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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=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=CC=C1C(C)C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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