[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H23N3O6 MolecularWeight: 365.38102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)CCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)OC(=O)CCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O6/c1-11(15(22)19-17(2,3)4)26-14(21)9-10-18-16(23)12-5-7-13(8-6-12)20(24)25/h5-8,11H,9-10H2,1-4H3,(H,18,23)(H,19,22)/t11-/m1/s1