(3R,4S)-3-azaniumyl-5-[(2-methylpropan-2-yl)oxy]-4-(4-nitrophenyl)-5-oxidanylidene-pentanoate

Systemtic Name: (3R,4S)-3-azaniumyl-5-[(2-methylpropan-2-yl)oxy]-4-(4-nitrophenyl)-5-oxidanylidene-pentanoate Openeye Name: (3R,4S)-3-azaniumyl-5-tert-butoxy-4-(4-nitrophenyl)-5-oxo-pentanoate CAS Name: (3R,4S)-3-ammonio-5-[(2-methylpropan-2-yl)oxy]-4-(4-nitrophenyl)-5-oxopentanoate IUPAC Name: (3R,4S)-3-azaniumyl-5-[(2-methylpropan-2-yl)oxy]-4-(4-nitrophenyl)-5-oxopentanoate Traditional Name: (3R,4S)-3-ammonio-5-tert-butoxy-5-keto-4-(4-nitrophenyl)valerate Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])C(CC(=O)[O-])[NH3+]

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])[C@@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C15H20N2O6/c1-15(2,3)23-14(20)13(11(16)8-12(18)19)9-4-6-10(7-5-9)17(21)22/h4-7,11,13H,8,16H2,1-3H3,(H,18,19)/t11-,13+/m1/s1