[(1R,2R)-1-acetyloxy-1-(3-nitrophenyl)-3-oxidanylidene-3-phenyl-propan-2-yl]-methyl-azanium

Systemtic Name: [(1R,2R)-1-acetyloxy-1-(3-nitrophenyl)-3-oxidanylidene-3-phenyl-propan-2-yl]-methyl-azanium Openeye Name: [(1R)-1-[(R)-acetoxy-(3-nitrophenyl)methyl]-2-oxo-2-phenyl-ethyl]-methyl-ammonium CAS Name: [(1R,2R)-1-acetyloxy-1-(3-nitrophenyl)-3-oxo-3-phenylpropan-2-yl]-methylammonium IUPAC Name: [(1R,2R)-1-acetyloxy-1-(3-nitrophenyl)-3-oxo-3-phenylpropan-2-yl]-methylazanium Traditional Name: [(1R)-1-[(R)-acetoxy-(3-nitrophenyl)methyl]-2-keto-2-phenyl-ethyl]-methyl-ammonium Formula: C18H19N2O5+ MolecularWeight: 343.35386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC(=CC=C1)[N+](=O)[O-])C(C(=O)C2=CC=CC=C2)[NH2+]C

Isomeric SMILES

CC(=O)O[C@H](C1=CC(=CC=C1)[N+](=O)[O-])[C@H](C(=O)C2=CC=CC=C2)[NH2+]C

InChI

InChI=1S/C18H18N2O5/c1-12(21)25-18(14-9-6-10-15(11-14)20(23)24)16(19-2)17(22)13-7-4-3-5-8-13/h3-11,16,18-19H,1-2H3/p+1/t16-,18+/m0/s1