3-[4-(4-ethoxyphenyl)-5-nitro-imidazol-1-yl]propanenitrile

Systemtic Name: 3-[4-(4-ethoxyphenyl)-5-nitro-imidazol-1-yl]propanenitrile Openeye Name: 3-[4-(4-ethoxyphenyl)-5-nitro-imidazol-1-yl]propanenitrile CAS Name: 3-[4-(4-ethoxyphenyl)-5-nitro-1-imidazolyl]propanenitrile IUPAC Name: 3-[4-(4-ethoxyphenyl)-5-nitroimidazol-1-yl]propanenitrile Traditional Name: 3-(5-nitro-4-p-phenetyl-imidazol-1-yl)propionitrile Formula: C14H14N4O3 MolecularWeight: 286.28596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(N(C=N2)CCC#N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(N(C=N2)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O3/c1-2-21-12-6-4-11(5-7-12)13-14(18(19)20)17(10-16-13)9-3-8-15/h4-7,10H,2-3,9H2,1H3