methyl (2S)-2-azanyl-3-(2,3,6-trideuterio-5-nitro-4-oxidanyl-phenyl)propanoate

Systemtic Name: methyl (2S)-2-azanyl-3-(2,3,6-trideuterio-5-nitro-4-oxidanyl-phenyl)propanoate Openeye Name: methyl (2S)-2-amino-3-(2,3,6-trideuterio-4-hydroxy-5-nitro-phenyl)propanoate CAS Name: (2S)-2-amino-3-(2,3,6-trideuterio-4-hydroxy-5-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-3-(2,3,6-trideuterio-4-hydroxy-5-nitrophenyl)propanoate Traditional Name: (2S)-2-amino-3-(2,3,6-trideuterio-4-hydroxy-5-nitro-phenyl)propionic acid methyl ester Formula: C10H12N2O5 MolecularWeight: 243.231165

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C=C1)O)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O5/c1-17-10(14)7(11)4-6-2-3-9(13)8(5-6)12(15)16/h2-3,5,7,13H,4,11H2,1H3/t7-/m0/s1/i2D,3D,5D