(2S)-2-azaniumyl-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoate

Systemtic Name: (2S)-2-azaniumyl-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoate Openeye Name: (2S)-2-azaniumyl-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoate CAS Name: (2S)-2-ammonio-6-[[(4-nitrophenyl)methoxy-oxomethyl]amino]hexanoate IUPAC Name: (2S)-2-azaniumyl-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoate Traditional Name: (2S)-2-ammonio-6-[(4-nitrobenzyl)oxycarbonylamino]hexanoate Formula: C14H19N3O6 MolecularWeight: 325.31716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)NCCCCC(C(=O)[O-])[NH3+])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)NCCCC[C@@H](C(=O)[O-])[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O6/c15-12(13(18)19)3-1-2-8-16-14(20)23-9-10-4-6-11(7-5-10)17(21)22/h4-7,12H,1-3,8-9,15H2,(H,16,20)(H,18,19)/t12-/m0/s1