(2S)-3-(1H-imidazol-5-yl)-2-[(5-nitrofuran-2-yl)carbonylamino]propanoate

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[(5-nitrofuran-2-yl)carbonylamino]propanoate Openeye Name: (2S)-3-(1H-imidazol-5-yl)-2-[(5-nitrofuran-2-carbonyl)amino]propanoate CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[[(5-nitro-2-furanyl)-oxomethyl]amino]propanoate IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-[(5-nitrofuran-2-carbonyl)amino]propanoate Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-[(5-nitro-2-furoyl)amino]propionate Formula: C11H9N4O6- MolecularWeight: 293.21236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O6/c16-10(8-1-2-9(21-8)15(19)20)14-7(11(17)18)3-6-4-12-5-13-6/h1-2,4-5,7H,3H2,(H,12,13)(H,14,16)(H,17,18)/p-1/t7-/m0/s1