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

Systemtic Name: 3-[4-(4-methoxyphenyl)-5-nitro-imidazol-1-yl]propanenitrile Openeye Name: 3-[4-(4-methoxyphenyl)-5-nitro-imidazol-1-yl]propanenitrile CAS Name: 3-[4-(4-methoxyphenyl)-5-nitro-1-imidazolyl]propanenitrile IUPAC Name: 3-[4-(4-methoxyphenyl)-5-nitroimidazol-1-yl]propanenitrile Traditional Name: 3-[4-(4-methoxyphenyl)-5-nitro-imidazol-1-yl]propionitrile Formula: C13H12N4O3 MolecularWeight: 272.25938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N(C=N2)CCC#N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N(C=N2)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O3/c1-20-11-5-3-10(4-6-11)12-13(17(18)19)16(9-15-12)8-2-7-14/h3-6,9H,2,8H2,1H3