ethyl 4-imidazol-1-yl-3-nitro-benzoate

Systemtic Name: ethyl 4-imidazol-1-yl-3-nitro-benzoate Openeye Name: ethyl 4-imidazol-1-yl-3-nitro-benzoate CAS Name: 4-(1-imidazolyl)-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-imidazol-1-yl-3-nitrobenzoate Traditional Name: 4-imidazol-1-yl-3-nitro-benzoic acid ethyl ester Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O4/c1-2-19-12(16)9-3-4-10(11(7-9)15(17)18)14-6-5-13-8-14/h3-8H,2H2,1H3