2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-imidazol-1-ylpropyl)ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-imidazol-1-ylpropyl)ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-imidazol-1-ylpropyl)acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[3-(1-imidazolyl)propyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-imidazol-1-ylpropyl)acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-imidazol-1-ylpropyl)acetamide Formula: C13H18N6O3 MolecularWeight: 306.32042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NCCCN2C=CN=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NCCCN2C=CN=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N6O3/c1-10-13(19(21)22)11(2)18(16-10)8-12(20)15-4-3-6-17-7-5-14-9-17/h5,7,9H,3-4,6,8H2,1-2H3,(H,15,20)