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

Systemtic Name: [(2S)-4-azanyl-1-[(4-nitrophenyl)methoxy]-1,4-bis(oxidanylidene)butan-2-yl]azanium Openeye Name: [(1S)-3-amino-1-[(4-nitrophenyl)methoxycarbonyl]-3-oxo-propyl]ammonium CAS Name: [(2S)-4-amino-1-[(4-nitrophenyl)methoxy]-1,4-dioxobutan-2-yl]ammonium IUPAC Name: [(2S)-4-amino-1-[(4-nitrophenyl)methoxy]-1,4-dioxobutan-2-yl]azanium Traditional Name: [(1S)-3-amino-3-keto-1-(4-nitrobenzyl)oxycarbonyl-propyl]ammonium Formula: C11H14N3O5+ MolecularWeight: 268.24596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O5/c12-9(5-10(13)15)11(16)19-6-7-1-3-8(4-2-7)14(17)18/h1-4,9H,5-6,12H2,(H2,13,15)/p+1/t9-/m0/s1