4-chloranyl-2-[[(1S,2R)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[[(1S,2R)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[(1R,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[(1R,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]iminomethyl]-6-nitro-phenolate Formula: C16H14ClN2O5- MolecularWeight: 349.74576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O5/c1-9(15(21)10-2-4-13(20)5-3-10)18-8-11-6-12(17)7-14(16(11)22)19(23)24/h2-9,15,20-22H,1H3/p-1/t9-,15-/m1/s1