2-(chloromethyl)-3-[(4-ethoxy-3-nitro-phenyl)methyl]-1H-imidazol-3-ium

Systemtic Name: 2-(chloromethyl)-3-[(4-ethoxy-3-nitro-phenyl)methyl]-1H-imidazol-3-ium Openeye Name: 2-(chloromethyl)-3-[(4-ethoxy-3-nitro-phenyl)methyl]-1H-imidazol-3-ium CAS Name: 2-(chloromethyl)-3-[(4-ethoxy-3-nitrophenyl)methyl]-1H-imidazol-3-ium IUPAC Name: 2-(chloromethyl)-3-[(4-ethoxy-3-nitrophenyl)methyl]-1H-imidazol-3-ium Traditional Name: 2-(chloromethyl)-3-(4-ethoxy-3-nitro-benzyl)-1H-imidazol-3-ium Formula: C13H15ClN3O3+ MolecularWeight: 296.7295

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[N+]2=C(NC=C2)CCl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[N+]2=C(NC=C2)CCl)[N+](=O)[O-]

InChI

InChI=1S/C13H14ClN3O3/c1-2-20-12-4-3-10(7-11(12)17(18)19)9-16-6-5-15-13(16)8-14/h3-7H,2,8-9H2,1H3/p+1