(2R)-3-(1H-imidazol-5-yl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: (2R)-3-(1H-imidazol-5-yl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (2R)-3-(1H-imidazol-5-yl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: (2R)-3-(1H-imidazol-5-yl)-2-(4-nitro-1,3-dioxo-2-isoindolyl)propanoate IUPAC Name: (2R)-3-(1H-imidazol-5-yl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: (2R)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)-3-(1H-imidazol-5-yl)propionate Formula: C14H9N4O6- MolecularWeight: 329.24446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C(CC3=CN=CN3)C(=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)[C@H](CC3=CN=CN3)C(=O)[O-]

InChI

InChI=1S/C14H10N4O6/c19-12-8-2-1-3-9(18(23)24)11(8)13(20)17(12)10(14(21)22)4-7-5-15-6-16-7/h1-3,5-6,10H,4H2,(H,15,16)(H,21,22)/p-1/t10-/m1/s1