octyl 4-nitro-1H-imidazole-5-carboxylate

Systemtic Name: octyl 4-nitro-1H-imidazole-5-carboxylate Openeye Name: octyl 4-nitro-1H-imidazole-5-carboxylate CAS Name: 4-nitro-1H-imidazole-5-carboxylic acid octyl ester IUPAC Name: octyl 4-nitro-1H-imidazole-5-carboxylate Traditional Name: 4-nitro-1H-imidazole-5-carboxylic acid octyl ester Formula: C12H19N3O4 MolecularWeight: 269.29696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(N=CN1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(N=CN1)[N+](=O)[O-]

InChI

InChI=1S/C12H19N3O4/c1-2-3-4-5-6-7-8-19-12(16)10-11(15(17)18)14-9-13-10/h9H,2-8H2,1H3,(H,13,14)