sodium (2S)-2-azanyl-3-(3,5-dinitro-4-oxidanyl-phenyl)propanoate

Systemtic Name: sodium (2S)-2-azanyl-3-(3,5-dinitro-4-oxidanyl-phenyl)propanoate Openeye Name: sodium (2S)-2-amino-3-(4-hydroxy-3,5-dinitro-phenyl)propanoate CAS Name: sodium (2S)-2-amino-3-(4-hydroxy-3,5-dinitrophenyl)propanoate IUPAC Name: sodium (2S)-2-amino-3-(4-hydroxy-3,5-dinitrophenyl)propanoate Traditional Name: sodium (2S)-2-amino-3-(4-hydroxy-3,5-dinitro-phenyl)propionate Formula: C9H8N3NaO7 MolecularWeight: 293.16549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])C[C@@H](C(=O)[O-])N.[Na+]

InChI

InChI=1S/C9H9N3O7.Na/c10-5(9(14)15)1-4-2-6(11(16)17)8(13)7(3-4)12(18)19;/h2-3,5,13H,1,10H2,(H,14,15);/q;+1/p-1/t5-;/m0./s1