1-[(3-nitro-4-pentoxy-phenyl)methyl]imidazole hydrochloride

Systemtic Name: 1-[(3-nitro-4-pentoxy-phenyl)methyl]imidazole hydrochloride Openeye Name: 1-[(3-nitro-4-pentoxy-phenyl)methyl]imidazole hydrochloride CAS Name: 1-[(3-nitro-4-pentoxyphenyl)methyl]imidazole hydrochloride IUPAC Name: 1-[(3-nitro-4-pentoxyphenyl)methyl]imidazole hydrochloride Traditional Name: 1-(4-amoxy-3-nitro-benzyl)imidazole hydrochloride Formula: C15H20ClN3O3 MolecularWeight: 325.7906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)CN2C=CN=C2)[N+](=O)[O-].Cl

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)CN2C=CN=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C15H19N3O3.ClH/c1-2-3-4-9-21-15-6-5-13(10-14(15)18(19)20)11-17-8-7-16-12-17;/h5-8,10,12H,2-4,9,11H2,1H3;1H