methyl 4-[(4-nitroimidazol-1-yl)methyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4/c1-19-12(16)10-4-2-9(3-5-10)6-14-7-11(13-8-14)15(17)18/h2-5,7-8H,6H2,1H3