(phenylmethyl) 4-nitro-1H-imidazole-5-carboxylate

Systemtic Name: (phenylmethyl) 4-nitro-1H-imidazole-5-carboxylate Openeye Name: benzyl 4-nitro-1H-imidazole-5-carboxylate CAS Name: 4-nitro-1H-imidazole-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-nitro-1H-imidazole-5-carboxylate Traditional Name: 4-nitro-1H-imidazole-5-carboxylic acid benzyl ester Formula: C11H9N3O4 MolecularWeight: 247.20686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C(N=CN2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C(N=CN2)[N+](=O)[O-]

InChI

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