[(2S)-5-azanyl-1-[(4-nitrophenyl)methoxy]-1,5-bis(oxidanylidene)pentan-2-yl]azanium

Systemtic Name: [(2S)-5-azanyl-1-[(4-nitrophenyl)methoxy]-1,5-bis(oxidanylidene)pentan-2-yl]azanium Openeye Name: [(1S)-4-amino-1-[(4-nitrophenyl)methoxycarbonyl]-4-oxo-butyl]ammonium CAS Name: [(2S)-5-amino-1-[(4-nitrophenyl)methoxy]-1,5-dioxopentan-2-yl]ammonium IUPAC Name: [(2S)-5-amino-1-[(4-nitrophenyl)methoxy]-1,5-dioxopentan-2-yl]azanium Traditional Name: [(1S)-4-amino-4-keto-1-(4-nitrobenzyl)oxycarbonyl-butyl]ammonium Formula: C12H16N3O5+ MolecularWeight: 282.27254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O5/c13-10(5-6-11(14)16)12(17)20-7-8-1-3-9(4-2-8)15(18)19/h1-4,10H,5-7,13H2,(H2,14,16)/p+1/t10-/m0/s1