2-[[(1S,2R)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[(1S,2R)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[(1R,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[(1R,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]iminomethyl]-4-nitro-phenolate Formula: C16H15N2O5- MolecularWeight: 315.3007

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)O)O)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C[C@H]([C@H](C1=CC=C(C=C1)O)O)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H16N2O5/c1-10(16(21)11-2-5-14(19)6-3-11)17-9-12-8-13(18(22)23)4-7-15(12)20/h2-10,16,19-21H,1H3/p-1/t10-,16-/m1/s1