(3S)-3-azaniumyl-3-(2-chloranyl-5-nitro-phenyl)propanoate

Systemtic Name: (3S)-3-azaniumyl-3-(2-chloranyl-5-nitro-phenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(2-chloro-5-nitro-phenyl)propanoate CAS Name: (3S)-3-ammonio-3-(2-chloro-5-nitrophenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(2-chloro-5-nitrophenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(2-chloro-5-nitro-phenyl)propionate Formula: C9H9ClN2O4 MolecularWeight: 244.63176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9ClN2O4/c10-7-2-1-5(12(15)16)3-6(7)8(11)4-9(13)14/h1-3,8H,4,11H2,(H,13,14)/t8-/m0/s1