2-(5-imidazol-1-yl-2-nitro-phenyl)ethanoate

Systemtic Name: 2-(5-imidazol-1-yl-2-nitro-phenyl)ethanoate Openeye Name: 2-(5-imidazol-1-yl-2-nitro-phenyl)acetate CAS Name: 2-[5-(1-imidazolyl)-2-nitrophenyl]acetate IUPAC Name: 2-(5-imidazol-1-yl-2-nitrophenyl)acetate Traditional Name: 2-(5-imidazol-1-yl-2-nitro-phenyl)acetate Formula: C11H8N3O4- MolecularWeight: 246.19892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C=CN=C2)CC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1N2C=CN=C2)CC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O4/c15-11(16)6-8-5-9(13-4-3-12-7-13)1-2-10(8)14(17)18/h1-5,7H,6H2,(H,15,16)/p-1