[(2S)-3-(2-chloranyl-4-nitro-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: [(2S)-3-(2-chloranyl-4-nitro-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-(2-chloro-4-nitro-phenoxy)-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-(2-chloro-4-nitrophenoxy)-2-hydroxypropyl]ammonium IUPAC Name: [(2S)-3-(2-chloro-4-nitrophenoxy)-2-hydroxypropyl]azanium Traditional Name: [(2S)-3-(2-chloro-4-nitro-phenoxy)-2-hydroxy-propyl]ammonium Formula: C9H12ClN2O4+ MolecularWeight: 247.65558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11ClN2O4/c10-8-3-6(12(14)15)1-2-9(8)16-5-7(13)4-11/h1-3,7,13H,4-5,11H2/p+1/t7-/m0/s1