[2-(tert-butylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]propanoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propionic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C16H20ClN3O6 MolecularWeight: 385.7995

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC(C)(C)C)NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O6/c1-9(15(23)26-8-13(21)19-16(2,3)4)18-14(22)10-5-6-11(17)12(7-10)20(24)25/h5-7,9H,8H2,1-4H3,(H,18,22)(H,19,21)/t9-/m0/s1