(2S)-2-(4-nitroimidazol-1-yl)-2-phenyl-ethanoate

Systemtic Name: (2S)-2-(4-nitroimidazol-1-yl)-2-phenyl-ethanoate Openeye Name: (2S)-2-(4-nitroimidazol-1-yl)-2-phenyl-acetate CAS Name: (2S)-2-(4-nitro-1-imidazolyl)-2-phenylacetate IUPAC Name: (2S)-2-(4-nitroimidazol-1-yl)-2-phenylacetate Traditional Name: (2S)-2-(4-nitroimidazol-1-yl)-2-phenyl-acetate Formula: C11H8N3O4- MolecularWeight: 246.19892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)[O-])N2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C(=O)[O-])N2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O4/c15-11(16)10(8-4-2-1-3-5-8)13-6-9(12-7-13)14(17)18/h1-7,10H,(H,15,16)/p-1/t10-/m0/s1