[(2S)-3-methyl-1-[(4-nitrophenyl)methoxy]-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-3-methyl-1-[(4-nitrophenyl)methoxy]-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-2-methyl-1-[(4-nitrophenyl)methoxycarbonyl]propyl]ammonium CAS Name: [(2S)-3-methyl-1-[(4-nitrophenyl)methoxy]-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-3-methyl-1-[(4-nitrophenyl)methoxy]-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-2-methyl-1-(4-nitrobenzyl)oxycarbonyl-propyl]ammonium Formula: C12H17N2O4+ MolecularWeight: 253.27438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])[NH3+]

InChI

InChI=1S/C12H16N2O4/c1-8(2)11(13)12(15)18-7-9-3-5-10(6-4-9)14(16)17/h3-6,8,11H,7,13H2,1-2H3/p+1/t11-/m0/s1