N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(4-nitroimidazol-1-yl)ethanamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(4-nitroimidazol-1-yl)ethanamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(4-nitroimidazol-1-yl)acetamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-(4-nitro-1-imidazolyl)acetamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-nitroimidazol-1-yl)acetamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(4-nitroimidazol-1-yl)acetamide Formula: C16H16N6O3 MolecularWeight: 340.33664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O3/c1-11-16(12(2)21(19-11)13-6-4-3-5-7-13)18-15(23)9-20-8-14(17-10-20)22(24)25/h3-8,10H,9H2,1-2H3,(H,18,23)