2-[2-cyano-1-(2-nitroimidazol-1-yl)docosan-2-yl]benzenecarbonitrile

Systemtic Name: 2-[2-cyano-1-(2-nitroimidazol-1-yl)docosan-2-yl]benzenecarbonitrile Openeye Name: 2-[1-cyano-1-[(2-nitroimidazol-1-yl)methyl]henicosyl]benzonitrile CAS Name: 2-[2-cyano-1-(2-nitro-1-imidazolyl)docosan-2-yl]benzonitrile IUPAC Name: 2-[2-cyano-1-(2-nitroimidazol-1-yl)docosan-2-yl]benzonitrile Traditional Name: 2-[1-cyano-1-[(2-nitroimidazol-1-yl)methyl]heneicosyl]benzonitrile Formula: C33H49N5O2 MolecularWeight: 547.77446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(CN1C=CN=C1[N+](=O)[O-])(C#N)C2=CC=CC=C2C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(CN1C=CN=C1[N+](=O)[O-])(C#N)C2=CC=CC=C2C#N

InChI

InChI=1S/C33H49N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-33(28-35,31-23-20-19-22-30(31)27-34)29-37-26-25-36-32(37)38(39)40/h19-20,22-23,25-26H,2-18,21,24,29H2,1H3