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

Systemtic Name: [(2S)-3-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-(2-chloro-4-nitro-anilino)-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-(2-chloro-4-nitroanilino)-2-hydroxypropyl]ammonium IUPAC Name: [(2S)-3-(2-chloro-4-nitroanilino)-2-hydroxypropyl]azanium Traditional Name: [(2S)-3-(2-chloro-4-nitro-anilino)-2-hydroxy-propyl]ammonium Formula: C9H13ClN3O3+ MolecularWeight: 246.67082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12ClN3O3/c10-8-3-6(13(15)16)1-2-9(8)12-5-7(14)4-11/h1-3,7,12,14H,4-5,11H2/p+1/t7-/m0/s1