methyl 4-(1-methyl-5-nitro-imidazol-2-yl)benzoate

Systemtic Name: methyl 4-(1-methyl-5-nitro-imidazol-2-yl)benzoate Openeye Name: methyl 4-(1-methyl-5-nitro-imidazol-2-yl)benzoate CAS Name: 4-(1-methyl-5-nitro-2-imidazolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(1-methyl-5-nitroimidazol-2-yl)benzoate Traditional Name: 4-(1-methyl-5-nitro-imidazol-2-yl)benzoic acid methyl ester Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

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