(2S)-2-azanyl-3-(2,3,6-trideuterio-5-nitro-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: (2S)-2-azanyl-3-(2,3,6-trideuterio-5-nitro-4-oxidanyl-phenyl)propanoic acid Openeye Name: (2S)-2-amino-3-(2,3,6-trideuterio-4-hydroxy-5-nitro-phenyl)propanoic acid CAS Name: (2S)-2-amino-3-(2,3,6-trideuterio-4-hydroxy-5-nitrophenyl)propanoic acid IUPAC Name: (2S)-2-amino-3-(2,3,6-trideuterio-4-hydroxy-5-nitrophenyl)propanoic acid Traditional Name: (2S)-2-amino-3-(2,3,6-trideuterio-4-hydroxy-5-nitro-phenyl)propionic acid Formula: C9H10N2O5 MolecularWeight: 229.204585

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)N)[N+](=O)[O-])O

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1C[C@@H](C(=O)O)N)[2H])[N+](=O)[O-])O)[2H]

InChI

InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1/i1D,2D,4D