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(2R)-3-(1H-imidazol-5-yl)-2-nitro-2-[nitro(phenyl)amino]propanoic acid

(2R)-3-(1H-imidazol-5-yl)-2-nitro-2-[nitro(phenyl)amino]propanoic acid

Systemtic Name:(2R)-3-(1H-imidazol-5-yl)-2-nitro-2-[nitro(phenyl)amino]propanoic acid
Openeye Name:(2R)-3-(1H-imidazol-5-yl)-2-nitro-2-(N-nitroanilino)propanoic acid
CAS Name:(2R)-3-(1H-imidazol-5-yl)-2-nitro-2-(N-nitroanilino)propanoic acid
IUPAC Name:(2R)-3-(1H-imidazol-5-yl)-2-nitro-2-(N-nitroanilino)propanoic acid
Traditional Name:(2R)-3-(1H-imidazol-5-yl)-2-nitro-2-(N-nitroanilino)propionic acid
Formula: C12H11N5O6
MolecularWeight: 321.24564
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C(CC2=CN=CN2)(C(=O)O)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)N([C@@](CC2=CN=CN2)(C(=O)O)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C12H11N5O6/c18-11(19)12(16(20)21,6-9-7-13-8-14-9)15(17(22)23)10-4-2-1-3-5-10/h1-5,7-8H,6H2,(H,13,14)(H,18,19)/t12-/m1/s1


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